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    2-bromo-N-(propan-2-yl)acetamide

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 75726-96-4, 2-bromo-n-isopropyl-acetamide, 2-bromo-n-propan-2-ylacetamide, 2-bromo-n-(propan-2-yl)acetamide, Mfcd06800256, Acetamide, 2-bromo-n-(1-methylethyl)-
    Molecular Formula
    C5H10BrNO
    Molecular Weight
    180.04  g/mol
    InChI Key
    ZLDCRYWMEQJDGW-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-bromo-N-propan-2-ylacetamide
    2.1.2 InChI
    InChI=1S/C5H10BrNO/c1-4(2)7-5(8)3-6/h4H,3H2,1-2H3,(H,7,8)
    2.1.3 InChI Key
    ZLDCRYWMEQJDGW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)NC(=O)CBr
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 75726-96-4

    2. 2-bromo-n-isopropyl-acetamide

    3. 2-bromo-n-propan-2-ylacetamide

    4. 2-bromo-n-(propan-2-yl)acetamide

    5. Mfcd06800256

    6. Acetamide, 2-bromo-n-(1-methylethyl)-

    7. N-isopropylbromoacetamide

    8. Schembl406968

    9. Dtxsid40500832

    10. Zldcrywmeqjdgw-uhfffaoysa-n

    11. Stl066931

    12. Akos000500179

    13. Sb38614

    14. As-10108

    15. Sy030482

    16. Db-031156

    17. A9624

    18. Cs-0153998

    19. En300-216109

    20. F3310-0886

    2.3 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 180.04 g/mol
    Molecular Formula C5H10BrNO
    XLogP31.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count2
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area29.1
    Heavy Atom Count8
    Formal Charge0
    Complexity82.5
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1