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    CAS 90357-51-0

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 90357-51-0, N-[4-cyano-3-(trifluoromethyl)phenyl]methacrylamide epoxide, N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyloxirane-2-carboxamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-oxiranecarboxamide, Oxiranecarboxamide, n-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-, Bicalutamide epoxide impurity
    Molecular Formula
    C12H9F3N2O2
    Molecular Weight
    270.21  g/mol
    InChI Key
    UQUQTWDUTIAAAY-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyloxirane-2-carboxamide
    2.1.2 InChI
    InChI=1S/C12H9F3N2O2/c1-11(6-19-11)10(18)17-8-3-2-7(5-16)9(4-8)12(13,14)15/h2-4H,6H2,1H3,(H,17,18)
    2.1.3 InChI Key
    UQUQTWDUTIAAAY-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1(CO1)C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 90357-51-0

    2. N-[4-cyano-3-(trifluoromethyl)phenyl]methacrylamide Epoxide

    3. N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyloxirane-2-carboxamide

    4. N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-oxiranecarboxamide

    5. Oxiranecarboxamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-

    6. Bicalutamide Epoxide Impurity

    7. 4-cyano-n-(2,3-epoxy-2-methylpropionyl)-3-trifluoromethylaniline

    8. Mfcd08460201

    9. N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-oxirane Carboxamide

    10. N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-oxirane-2-carboxamide

    11. 1,2-epoxy-2-methyl-n-[4-cyano-3-(trifluoromethyl)-phenyl]propionamide

    12. Schembl202481

    13. Dtxsid60436169

    14. Akos015900542

    15. Ac-1069

    16. Ds-3154

    17. Sy033473

    18. Am20041370

    19. C3607

    20. Cs-0153887

    21. 357c510

    22. Q-100884

    23. N-[4-cyano-3-trifluoromethylphenyl]-2-methyloxiranecaboxamide

    24. Cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-oxirane Carboxamide

    25. N-[3-(trifluoromethyl)-4-cyanophenyl]-2-methyloxirane-2-carboxamide

    26. 2-methyl-oxirane-2-carboxylic Acid (4-cyano-3-trifluoromethyl-phenyl)-amide

    27. N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-oxiranecarbox-amide

    28. N-(4-cyano-3-(trifluoromethyl)phenyl)methacrylamide;n-(4-cyano-3-(trifluoromethyl)phenyl)-2-methyloxirane-2-carboxamide

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 270.21 g/mol
    Molecular Formula C12H9F3N2O2
    XLogP31.6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count2
    Exact Mass270.06161202 g/mol
    Monoisotopic Mass270.06161202 g/mol
    Topological Polar Surface Area65.4 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity428
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1