CAS 103-81-1

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Also known as: 103-81-1, Benzeneacetamide, Phenylacetamide, Alpha-toluamide, Phenylacetic acid amide, Alpha-phenylacetamide

Molecular Formula

C₈H₉NO

Molecular Weight

135.16 g/mol

InChI Key

LSBDFXRDZJMBSC-UHFFFAOYSA-N

FDA UNII

5R219M9TJF

phenylacetamide is a natural product found in Streptomyces alboniger, Pseudo-nitzschia multistriata, and other organisms with data available.

1 2D Structure

CAS 103-81-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-phenylacetamide

2.1.2 InChI

InChI=1S/C8H9NO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)

2.1.3 InChI Key

LSBDFXRDZJMBSC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)CC(=O)N

2.2 Other Identifiers

2.2.1 UNII

5R219M9TJF

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 103-81-1

2. Benzeneacetamide

3. Phenylacetamide

4. Alpha-toluamide

5. Phenylacetic Acid Amide

6. Alpha-phenylacetamide

7. Acetamide, 2-phenyl-

8. Phenyl-beta-acetylamine

9. 2-phenyl-acetamide

10. Alpha-toluimidic Acid

11. .alpha.-toluamide

12. .alpha.-phenylacetamide

13. Phenyl-.beta.-acetylamine

14. Chebi:16562

15. Gnf-pf-1199

16. .alpha.-toluimidic Acid

17. 5r219m9tjf

18. Chembl347645

19. Nsc-1877

20. Mfcd00059193

21. Nsc 1877

22. Einecs 203-147-0

23. Phenacetamide

24. Unii-5r219m9tjf

25. Phenyl Acetamide

26. Ai3-19421

27. Benzene-acetamide

28. 2-phenyl Acetamide

29. Phenylacetimidic Acid

30. Acetamide, 2-phenyl

31. (+)-benzeneacetamide

32. (-)-benzeneacetamide

33. Beta-phenyl-acetylamine

34. Benzenediacetamide

35. (+/-)-benzeneacetamide

36. (alpha-)2-phenylacetamide

37. 2-phenylacetamide(alpha-)

38. Schembl25676

39. Phenylacetamide;alpha-toluamide

40. Dtxsid1059282

41. Nsc1877

42. Zinc394644

43. Act04844

44. Bcp10408

45. Bdbm50226209

46. S4440

47. .alpha.-phenylacetamide [mi]

48. Akos001215073

49. Cs-w018983

50. Hy-w018197

51. Ac-24581

52. Sy017094

53. Db-021492

54. Ft-0613318

55. P0120

56. C02505

57. Q-200316

58. Q27101974

59. Z33546508

60. F1084-0941

61. 46afc744-1ff7-4816-b1c1-7c9995f369e8

62. N-o-nitrophenylsulfenyl-l-prolinedi(cyclohexyl)ammoniumsalt

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₈H₉NO
Molecular Weight	135.16 g/mol
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	135.068413911 g/mol
Monoisotopic Mass	135.068413911 g/mol
Topological Polar Surface Area	43.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	116
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1