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    CAS 849217-48-7

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 849217-48-7, 1-(4-fluorophenylcarbamoyl)cyclopropanecarboxylic acid, 1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid, Cyclopropanecarboxylic acid, 1-[[(4-fluorophenyl)amino]carbonyl]-, 1-[(4-fluorophenyl)carbamoyl]cyclopropanecarboxylic acid, 8p43n3dm5y
    Molecular Formula
    C11H10FNO3
    Molecular Weight
    223.20  g/mol
    InChI Key
    PFMAFXYUHZDKPY-UHFFFAOYSA-N
    FDA UNII
    8P43N3DM5Y
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
    2.1.2 InChI
    InChI=1S/C11H10FNO3/c12-7-1-3-8(4-2-7)13-9(14)11(5-6-11)10(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16)
    2.1.3 InChI Key
    PFMAFXYUHZDKPY-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC1(C(=O)NC2=CC=C(C=C2)F)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    8P43N3DM5Y
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 849217-48-7

    2. 1-(4-fluorophenylcarbamoyl)cyclopropanecarboxylic Acid

    3. 1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic Acid

    4. Cyclopropanecarboxylic Acid, 1-[[(4-fluorophenyl)amino]carbonyl]-

    5. 1-[(4-fluorophenyl)carbamoyl]cyclopropanecarboxylic Acid

    6. 8p43n3dm5y

    7. Mfcd11226313

    8. 1-(((4-fluorophenyl)amino)carbonyl)cyclopropanecarboxylic Acid

    9. Cyclopropanecarboxylic Acid, 1-(((4-fluorophenyl)amino)carbonyl)-

    10. 1-(4-fluoro-phenylcarbamoyl)-cyclopropanecarboxylic Acid

    11. 1-(4-fluoro-phenylcarbamoyl}-cyclopropanecarboxylic Acid

    12. 1-{[(4-fluorophenyl)amino]carbonyl}cyclopropanecarboxylic Acid

    13. Intermediate Of Cabozantinib

    14. Unii-8p43n3dm5y

    15. Schembl105644

    16. Amy278

    17. 1-((4-fluorophenyl)carbamoyl)cyclopropanecarboxylicacid

    18. Dtxsid00610608

    19. Bcp15333

    20. Zinc21304711

    21. Akos008151310

    22. Cs-w019220

    23. Sb17898

    24. Ac-29722

    25. Ds-14316

    26. Sy047869

    27. F1083

    28. Ft-0701258

    29. En300-58849

    30. A848006

    31. J-503319

    32. ((4-fluorophenyl)carbamoyl)cyclopropanecarboxylic Acid

    33. 1-(4-fluorophenylcarbamoyl)-cyclopropanecarboxylic Acid

    34. Z1259041011

    35. 1-((4-fluorophenyl)carbamoyl) -cyclopropanecarboxylic Acid

    36. 1-((4-fluorophenyl)carbamoyl)-cyclopropanecarboxylic Acid

    37. 1-((4-fluorophenyl)carbamoyl)cyclopropane Carboxylic Acid

    38. 1-(4-fluorophenylaminocarbonyl)cyclopropanecarboxylic Acid

    2.4 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 223.20 g/mol
    Molecular Formula C11H10FNO3
    XLogP31.8
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass223.06447134 g/mol
    Monoisotopic Mass223.06447134 g/mol
    Topological Polar Surface Area66.4 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity306
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1