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Also known as: 125971-96-2, 2-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-n-phenylpentanamide, 2[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-pentanoic acid phenylamide, 4-fluoro-alpha-(2-methyl-1-oxopropyl)-gamma-oxo-n,beta-diphenylbenzene butaneamide, Kv1o5ztn5t, Mfcd04117986
Molecular Formula
C26H24FNO3
Molecular Weight
417.5  g/mol
InChI Key
SNPBHOICIJUUFB-UHFFFAOYSA-N
FDA UNII
KV1O5ZTN5T

CAS 125971-96-2
1 2D Structure

CAS 125971-96-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-phenylpentanamide
2.1.2 InChI
InChI=1S/C26H24FNO3/c1-17(2)24(29)23(26(31)28-21-11-7-4-8-12-21)22(18-9-5-3-6-10-18)25(30)19-13-15-20(27)16-14-19/h3-17,22-23H,1-2H3,(H,28,31)
2.1.3 InChI Key
SNPBHOICIJUUFB-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)C(=O)C(C(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=CC=C3
2.2 Other Identifiers
2.2.1 UNII
KV1O5ZTN5T
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 125971-96-2

2. 2-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-n-phenylpentanamide

3. 2[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-pentanoic Acid Phenylamide

4. 4-fluoro-alpha-(2-methyl-1-oxopropyl)-gamma-oxo-n,beta-diphenylbenzene Butaneamide

5. Kv1o5ztn5t

6. Mfcd04117986

7. 4-fluoro-alpha-(2-methyl-1-oxopropyl)-gamma-oxo-n,beta-diphenyl-benzenebutanamide

8. 4-fluoro-alpha-(2-methyl-1-oxopropyl)-gamma-oxo-n,beta-diphenylbenzenebutanamide

9. Benzenebutanamide, 4-fluoro-alpha-(2-methyl-1-oxopropyl)-gamma-oxo-n,beta-diphenyl-

10. 4-fluoro-alpha-[2-methyl-1-oxopropyl]-gamma-oxo-n,beta-diphenylbenzene Butaneamide

11. Unii-kv1o5ztn5t

12. Ec 425-850-3

13. Schembl456631

14. Dtxsid10925331

15. 4-(4-fluorophenyl)-2-(2-methyl-1-oxopropyl)-4-oxo-3,n-diphenylbutanamide

16. Akos015840719

17. Ac-1553

18. Am90284

19. Cs-w003198

20. Atorvastatin Diketo Amide Impurity

21. As-13101

22. Sy023617

23. Db-020284

24. Sl-000193

25. Ft-0618500

26. 971f962

27. J-005311

28. 4-fluoro-?-(2-methyl-1-oxopropyl)-?-oxo-n,?-diphenyl-benzenebutanamide

29. Benzenebutanamide, 4-fluoro--(2-methyl-1-oxopropyl)--oxo-n,-diphenyl-

30. N-phenyl-2-(alpha-phenyl-4-fluorophenacyl)-3-oxo-4-methylpentanamide

31. (+/-)-4-fluoro-a-[2-methyl-1-oxopropyl ]-gamma-oxo-n,beta--diphenylbenzenebutaneamide

32. (+/-)-4-fluoro-alpha-(2-methyl-1-oxopropyl)-gamma-oxo-n,beta-diphenyl Benzenebutane Amide

33. (+/-)-4-fluoro-alpha-(2-methyl-1-oxopropyl)-gamma-oxo-n,beta-diphenyl Benzenebutane-amide

34. (+/-)-4-fluoro-alpha-[2-methyl-1-oxopropyl]-gamma-oxo-n, Beta-diphenylbenzenebutaneamide

35. (+/-)-4-fluoro-alpha-[2-methyl-1-oxopropyl]-gamma-oxo-n,beta-diphenylbenzenebutane-amide

36. (+/-)-4-fluoro-alpha-[2-methyl-1-oxopropyl]-gamma-oxo-n,beta-diphenylbenzenebutaneamide

37. (+/-)-4-fluoro-alpha-[2-methyl-1-oxopropyl]-gammaoxo-n,beta-diphenylbenzenebutaneamide

38. (+/-)-4-fluoroalpha-[2-methyl-1-oxopropyl]-gamma-oxo-n,beta-diphenylbenzenebutaneamide

39. (+/-)4-fluoro-alpha-[2-methyl-1-oxopropyl]-gamma-oxo-n,beta-di-phenylbenzenebutaneamide

40. (+/-)4-fluoro-alpha-[2-methyl-1-oxopropyl]-gamma-oxo-n,beta-diphenylbenzenebutaneamide

41. (+/-)4-fluoro-alpha-[2-methyl-1oxopropyl]-gamma-oxo-n,beta-diphenylbenzenebutaneamide

42. 2-[2-(4-fluorophenyl)-2-oxo-1-phenyl-ethyl]-4-methyl-3-oxo-pentanoic Acid Phenylamide

43. 2-[2-(4-fluorophenyl)-2-oxo-1-phenyl-ethyl]4-methyl-3-oxo-pentanoic Acid Phenylamide

44. 2-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-n-phenylpentanimidic Acid

45. 2-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-pentanoic Acid Phenylamide

46. 2[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxopentanoic Acid Phenylamide

47. 4-fluoro-

48. A-(2-methyl-1-oxopropyl)-

49. A-oxo-n,

50. A-dlphonylbenzene Butaneaminde

51. 4-fluoro-alpha-(2-methyl-1-oxopropyl)- Gamma -oxo-n, Beta -diphenyl-benzenebutanamide

52. 4-fluoro-alpha-(2-methyl-1-oxopropyl)- Gamma-oxo-n,beta-diphenylbenzenebutanamide

53. 4-fluoro-alpha-(2-methyl-1-oxopropyl)-?-oxo-n,beta-diphenyl-benzenebutanamide

54. 4-fluoro-.alpha.-(2-methyl-1-oxopropyl)-.gamma.-oxo-n,.beta.-diphenyl-benzenebutanamide

55. Benzenebutanamide, 4-fluoro-.alpha.-(2-methyl-1-oxopropyl)-.gamma.-oxo-n,.beta.-diphenyl-

2.4 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 417.5 g/mol
Molecular Formula C26H24FNO3
XLogP35.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass417.17402179 g/mol
Monoisotopic Mass417.17402179 g/mol
Topological Polar Surface Area63.2 Ų
Heavy Atom Count31
Formal Charge0
Complexity614
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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