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

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    ILB

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    Symbiotec: Global API manufacturer, specializing in Cortico-Steroids & Steroid-Hormone APIs.

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    2D Structure
    1. Also known as: Chembl157105, 2-([[3,5-difluoro-3'-(trifluoromethoxy)biphenyl-4-yl]amino]carbonyl)cyclopent-1-ene-1-carboxylic acid, 2-({2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phenyl}carbamoyl)cyclopent-1-ene-1-carboxylic acid, Schembl249081, Bdbm15343, Db07975
    Molecular Formula
    C20H14F5NO4
    Molecular Weight
    427.3  g/mol
    InChI Key
    VTGXLCZUWFYELR-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[[2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]carbamoyl]cyclopentene-1-carboxylic acid
    2.1.2 InChI
    InChI=1S/C20H14F5NO4/c21-15-8-11(10-3-1-4-12(7-10)30-20(23,24)25)9-16(22)17(15)26-18(27)13-5-2-6-14(13)19(28)29/h1,3-4,7-9H,2,5-6H2,(H,26,27)(H,28,29)
    2.1.3 InChI Key
    VTGXLCZUWFYELR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC(=C(C1)C(=O)O)C(=O)NC2=C(C=C(C=C2F)C3=CC(=CC=C3)OC(F)(F)F)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Chembl157105

    2. 2-([[3,5-difluoro-3'-(trifluoromethoxy)biphenyl-4-yl]amino]carbonyl)cyclopent-1-ene-1-carboxylic Acid

    3. 2-({2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phenyl}carbamoyl)cyclopent-1-ene-1-carboxylic Acid

    4. Schembl249081

    5. Bdbm15343

    6. Db07975

    7. Q27097205

    8. 2-[3,5-difluoro-3'-(trifluoromethoxy)-4-biphenylylcarbamoyl]-1-cyclopentene-1-carboxylic Acid

    9. 2-{[3,5-difluoro-3'-(trifluoromethoxy)biphenyl-4-yl]carbamoyl}cyclopent-1-ene-1-carboxylic Acid

    10. Ilb

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 427.3 g/mol
    Molecular Formula C20H14F5NO4
    XLogP34.7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count5
    Exact Mass427.08429874 g/mol
    Monoisotopic Mass427.08429874 g/mol
    Topological Polar Surface Area75.6 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity683
    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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