N-cyclopropyl-3-(4-fluorophenyl)-N-({4-[(3-methyloxetan-3-yl)methoxy]phenyl}methyl)benzamide

• ChemBase ID: 496356
• Molecular Formular: C28H28FNO3
• Molecular Mass: 445.5252232
• Monoisotopic Mass: 445.20532198
• SMILES: C(=O)(N(C1CC1)Cc1ccc(OCC2(COC2)C)cc1)c1cc(c2ccc(cc2)F)ccc1
• Canonical SMILES: Fc1ccc(cc1)c1cccc(c1)C(=O)N(C1CC1)Cc1ccc(cc1)OCC1(C)COC1
• InChI: InChI=1S/C28H28FNO3/c1-28(17-32-18-28)19-33-26-13-5-20(6-14-26)16-30(25-11-12-25)27(31)23-4-2-3-22(15-23)21-7-9-24(29)10-8-21/h2-10,13-15,25H,11-12,16-19H2,1H3
• InChIKey: JLFNNAHDXZCNFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-(4-fluorophenyl)-N-({4-[(3-methyloxetan-3-yl)methoxy]phenyl}methyl)benzamide
• IUPAC Traditional name: N-cyclopropyl-3-(4-fluorophenyl)-N-({4-[(3-methyloxetan-3-yl)methoxy]phenyl}methyl)benzamide
• Synonyms: N-cyclopropyl-4'-fluoro-N-{4-[(3-methyl-3-oxetanyl)methoxy]benzyl}-3-biphenylcarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.315997
• LogD (pH = 7.4): 5.315997
• Log P: 5.315997
• Molar Refractivity: 126.751 cm^3
• Polarizability: 49.830627 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 5.47
• LOG S: -6.31
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 8