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    Clofutriben

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    2D Structure
    Also known as: Clofutriben, 1204178-50-6, 4-(5-(2-(4-chloro-2,6-difluorophenoxy)propan-2-yl)-4-methyl-4h-1,2,4-triazol-3-yl)-3-fluorobenzamide, 4-{5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-4h-1,2,4-triazol-3-yl}-3-fluorobenzamide, Clofutriben [inn], Clofutriben (usan/inn)
    Molecular Formula
    C19H16ClF3N4O2
    Molecular Weight
    424.8  g/mol
    InChI Key
    CMQOKZCYVZFZLZ-UHFFFAOYSA-N
    FDA UNII
    4L1TY1U5VC
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-3-fluorobenzamide
    2.1.2 InChI
    InChI=1S/C19H16ClF3N4O2/c1-19(2,29-15-13(22)7-10(20)8-14(15)23)18-26-25-17(27(18)3)11-5-4-9(16(24)28)6-12(11)21/h4-8H,1-3H3,(H2,24,28)
    2.1.3 InChI Key
    CMQOKZCYVZFZLZ-UHFFFAOYSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    4L1TY1U5VC
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4-(5-(2-(4-chloro-2,6-difluorophenoxy)propan-2-yl)-4-methyl-4h-1,2,4-triazol-3-yl)-3-fluorobenzamide

    2.3.2 Depositor-Supplied Synonyms

    1. Clofutriben

    2. 1204178-50-6

    3. 4-(5-(2-(4-chloro-2,6-difluorophenoxy)propan-2-yl)-4-methyl-4h-1,2,4-triazol-3-yl)-3-fluorobenzamide

    4. 4-{5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-4h-1,2,4-triazol-3-yl}-3-fluorobenzamide

    5. Clofutriben [inn]

    6. Clofutriben (usan/inn)

    7. 4l1ty1u5vc

    8. Schembl1417758

    9. Chembl5314513

    10. Us9765040, Compound 10

    11. Bdbm340799

    12. Glxc-20698

    13. Asp 3662

    14. Asp3662?

    15. 4-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-3-fluorobenzamide

    16. Ba167526

    17. Hy-120496

    18. Cs-0078175

    19. D12948

    20. 4-[5-[1-(4-chloro-2,6-difluorophenoxy)-1-methylethyl]-4-methyl-4h-1,2,4-triazol-3-yl]-3-fluorobenzamide

    21. Benzamide, 4-(5-(1-(4-chloro-2,6-difluorophenoxy)-1-methylethyl)-4-methyl-4h-1,2,4-triazol-3-yl)-3-fluoro-

    2.4 Create Date
    2010-02-01
    3 Chemical and Physical Properties
    Molecular Weight 424.8 g/mol
    Molecular Formula C19H16ClF3N4O2
    XLogP33
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count5
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area83
    Heavy Atom Count29
    Formal Charge0
    Complexity590
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1