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    CAS 103-81-1

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    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

    2D Structure

    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 Weight 135.16 g/mol
    Molecular Formula C8H9NO
    XLogP30.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count2
    Exact Mass135.068413911 g/mol
    Monoisotopic Mass135.068413911 g/mol
    Topological Polar Surface Area43.1 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity116
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1