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    Technical details about DSSTox_CID_31445, learn more about the structure, uses, toxicity, action, side effects and more

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    DSSTox_CID_31445

    APIs // Active Pharmaceutical Ingredients

    PharmaCompass

    Phyton is a World Leader in Plant Cell Fermentation Technology and Commercial Manufacturing.

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    2D Structure
    1. Also known as: 1584-62-9, 2-bromo-n-[4-chloro-2-(2-fluorobenzoyl)phenyl]acetamide, 2-bromo-n-(4-chloro-2-(2-fluorobenzoyl)phenyl)acetamide, N-[2-(2-fluorophenyl)-4-chlorophenyl-2-bromoacetamide, 2-bromo-4'-chloro-2'-(2-fluorobenzoyl)acetanilide, 2-bromoacetamido-5-chloro-2'-fluorobenzophenone
    Molecular Formula
    C15H10BrClFNO2
    Molecular Weight
    370.60  g/mol
    InChI Key
    WUZSFIKFFXBHMB-UHFFFAOYSA-N
    FDA UNII
    Z3C8AC8AC2
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-bromo-N-[4-chloro-2-(2-fluorobenzoyl)phenyl]acetamide
    2.1.2 InChI
    InChI=1S/C15H10BrClFNO2/c16-8-14(20)19-13-6-5-9(17)7-11(13)15(21)10-3-1-2-4-12(10)18/h1-7H,8H2,(H,19,20)
    2.1.3 InChI Key
    WUZSFIKFFXBHMB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)CBr)F
    2.2 Other Identifiers
    2.2.1 UNII
    Z3C8AC8AC2
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1584-62-9

    2. 2-bromo-n-[4-chloro-2-(2-fluorobenzoyl)phenyl]acetamide

    3. 2-bromo-n-(4-chloro-2-(2-fluorobenzoyl)phenyl)acetamide

    4. N-[2-(2-fluorophenyl)-4-chlorophenyl-2-bromoacetamide

    5. 2-bromo-4'-chloro-2'-(2-fluorobenzoyl)acetanilide

    6. 2-bromoacetamido-5-chloro-2'-fluorobenzophenone

    7. Z3c8ac8ac2

    8. 2-bromo-n-(4-chloro-2-(2-fluorobenzoyl)-phenyl)acetamide

    9. Acetamide, 2-bromo-n-[4-chloro-2-(2-fluorobenzoyl)phenyl]-

    10. Einecs 216-437-7

    11. Acetamide, 2-bromo-n-(4-chloro-2-(2-fluorobenzoyl)phenyl)-

    12. Unii-z3c8ac8ac2

    13. Dsstox_cid_31445

    14. Dsstox_rid_97331

    15. Dsstox_gsid_57656

    16. 5-chloro-2-(bromoacetylamino)-2'-fluorobenzophenone

    17. Chembl3185153

    18. Dtxsid7057656

    19. Zinc1995290

    20. Tox21_113843

    21. Akos016010657

    22. Ncgc00253724-01

    23. Cas-1584-62-9

    24. Ft-0668616

    25. Ft-0668617

    26. Y11304

    27. W-109684

    28. 2-(2-bromoacetamido)-5-chloro-2'-fluorobenzophenone

    29. 2-bromoacetamido-5-chloro-2'-fluorobenzophenone;5-chloro-2-(bromoacetylamino)-2'-fluorobenzophenone

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 370.60 g/mol
    Molecular Formula C15H10BrClFNO2
    XLogP34.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count4
    Exact Mass368.95675 g/mol
    Monoisotopic Mass368.95675 g/mol
    Topological Polar Surface Area46.2 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity396
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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