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    CAS 70627-52-0

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 70627-52-0, N-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)methanimine, 4-benzyloxybenzylidene-(4-fluoro)aniline, 4'-(benzyloxy)benzylidene-4-fluoroaniline, Benzenamine, 4-fluoro-n-[[4-(phenylmethoxy)phenyl]methylene]-, N-[4-(benzyloxy)benzylidene]-4-fluoroaniline
    Molecular Formula
    C20H16FNO
    Molecular Weight
    305.3  g/mol
    InChI Key
    IWNBEFDVKWCBFY-UHFFFAOYSA-N
    FDA UNII
    8T6S6LX5B3
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)methanimine
    2.1.2 InChI
    InChI=1S/C20H16FNO/c21-18-8-10-19(11-9-18)22-14-16-6-12-20(13-7-16)23-15-17-4-2-1-3-5-17/h1-14H,15H2
    2.1.3 InChI Key
    IWNBEFDVKWCBFY-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)COC2=CC=C(C=C2)C=NC3=CC=C(C=C3)F
    2.2 Other Identifiers
    2.2.1 UNII
    8T6S6LX5B3
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 70627-52-0

    2. N-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)methanimine

    3. 4-benzyloxybenzylidene-(4-fluoro)aniline

    4. 4'-(benzyloxy)benzylidene-4-fluoroaniline

    5. Benzenamine, 4-fluoro-n-[[4-(phenylmethoxy)phenyl]methylene]-

    6. N-[4-(benzyloxy)benzylidene]-4-fluoroaniline

    7. (e)-n-(4-(benzyloxy)benzylidene)-4-fluoroaniline

    8. Mfcd00017951

    9. (z)-1-(4-(benzyloxy)phenyl)-n-(4-fluorophenyl)methanimine

    10. 1206694-75-8

    11. 219653-96-0

    12. N-((4-(benzyloxy)phenyl)methylidene)-4-fluoroaniline

    13. 4-fluoro-n-((4-(phenylmethoxy)phenyl)methylene)benzenamine

    14. Benzenamine, 4-fluoro-n-((4-(phenylmethoxy)phenyl)methylene)-

    15. Starbld0004881

    16. N-(4-benzyloxybenzylidene)-4-fluoroaniline

    17. Schembl525302

    18. 8t6s6lx5b3

    19. Schembl12275030

    20. Amy4171

    21. Dtxsid30355111

    22. Zinc292893

    23. Act07249

    24. Bcp04589

    25. Ac7919

    26. Stk078401

    27. Akos000483182

    28. Akos025401250

    29. Akos028109091

    30. Zinc100003558

    31. Zinc254800438

    32. Ac-8739

    33. Ds-3355

    34. 4-(benzyloxy)benzylidene-4-fluoroaniline

    35. Sy055798

    36. 4, 4-benzyloxybenzylidene P- Fluoroaniline

    37. Db-026693

    38. B4301

    39. Cs-0156173

    40. Ft-0641305

    41. 4-benzyloxybenzylidene 4-fluoroaniline

    42. F11422

    43. N-(4-fluorophenyl)-4-benzyloxybenzylideneamine

    44. 4-(4-benzyloxybenzylidene) Fluoroaniline

    45. 4?-(benzyloxy)benzylidene-4-fluoroaniline

    46. 627b520

    47. A836925

    48. A836946

    49. N-{(e)-[4-(benzyloxy)phenyl]methylidene}-4-fluoroaniline

    50. Benzenamine, 4-fluoro-n-[[4-(phenylmethoxy)phenyl]methylene]

    51. 4 Inverted Exclamation Mark -(benzyloxy)benzylidene-4-fluoroaniline

    2.4 Create Date
    2005-07-08
    3 Chemical and Physical Properties
    Molecular Weight 305.3 g/mol
    Molecular Formula C20H16FNO
    XLogP34.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count5
    Exact Mass305.121592296 g/mol
    Monoisotopic Mass305.121592296 g/mol
    Topological Polar Surface Area21.6 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity351
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1