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    CAS 7251-52-7

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 7251-52-7, Phenyl-(2-pyridyl)acetamide, 2-phenyl-2-pyridin-2-ylacetamide, Alpha-phenyl-2-pyridineacetamide, A5vmt44z62, (2rs)-2-phenyl-2-(pyridin-2-yl)acetamide
    Molecular Formula
    C13H12N2O
    Molecular Weight
    212.25  g/mol
    InChI Key
    PYAPITOPBTXXNJ-UHFFFAOYSA-N
    FDA UNII
    A5VMT44Z62
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-phenyl-2-pyridin-2-ylacetamide
    2.1.2 InChI
    InChI=1S/C13H12N2O/c14-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-15-11/h1-9,12H,(H2,14,16)
    2.1.3 InChI Key
    PYAPITOPBTXXNJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)C(C2=CC=CC=N2)C(=O)N
    2.2 Other Identifiers
    2.2.1 UNII
    A5VMT44Z62
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 7251-52-7

    2. Phenyl-(2-pyridyl)acetamide

    3. 2-phenyl-2-pyridin-2-ylacetamide

    4. Alpha-phenyl-2-pyridineacetamide

    5. A5vmt44z62

    6. (2rs)-2-phenyl-2-(pyridin-2-yl)acetamide

    7. 2-phenyl-2-(2-pyridyl)acetamide

    8. Nsc-62572

    9. 2-phenyl-2-(2-pyridinyl)acetamide

    10. Alpha-phenylpyridine-2-acetamide

    11. Nsc62572

    12. Einecs 230-663-3

    13. Nsc 62572

    14. Pyridinylphenylacetamide

    15. Cbmicro_020816

    16. Cambridge Id 5471815

    17. Unii-a5vmt44z62

    18. Oprea1_091075

    19. Schembl639563

    20. 2-phenyl-(2-pyridyl)acetamide

    21. Alpha-(2-pyridyl)phenylacetamide

    22. Dtxsid90874398

    23. Alpha -phenyl-2-pyridineacetamide

    24. Ccg-8643

    25. (rs)-phenyl-pyridin-2-yl-acetamide

    26. Mfcd00138126

    27. Stl290452

    28. 2-phenyl-2-(pyridine2-yl) Acetamide

    29. Akos005065618

    30. Cs-w015007

    31. As-61754

    32. Sc-16571

    33. .alpha.-phenyl-2-pyridineacetamide

    34. Bim-0020905.p001

    35. .alpha.-(2-pyridyl)benzeneacetamide

    36. Db-055644

    37. Ft-0636405

    38. P1741

    39. 2-pyridineacetamide, .alpha.-phenyl-

    40. 251p527

    41. A837550

    42. Sr-01000210022

    43. Sr-01000210022-1

    44. Methylphenidate Hydrochloride Impurity F [ep Impurity]

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 212.25 g/mol
    Molecular Formula C13H12N2O
    XLogP30.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass212.094963011 g/mol
    Monoisotopic Mass212.094963011 g/mol
    Topological Polar Surface Area56 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity236
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1