CAS 125971-96-2

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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

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 Formula	C₂₆H₂₄FNO₃
Molecular Weight	417.5 g/mol
XLogP3	5.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	417.17402179 g/mol
Monoisotopic Mass	417.17402179 g/mol
Topological Polar Surface Area	63.2 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	614
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1