N-({4-[(4-fluorophenyl)methoxy]phenyl}methyl)-4-methyl-N-(pyridin-3-ylmethyl)benzamide

• ChemBase ID: 685912
• Molecular Formular: C28H25FN2O2
• Molecular Mass: 440.5087032
• Monoisotopic Mass: 440.19000627
• SMILES: N(C(=O)c1ccc(cc1)C)(Cc1cnccc1)Cc1ccc(OCc2ccc(F)cc2)cc1
• Canonical SMILES: Cc1ccc(cc1)C(=O)N(Cc1cccnc1)Cc1ccc(cc1)OCc1ccc(cc1)F
• InChI: InChI=1S/C28H25FN2O2/c1-21-4-10-25(11-5-21)28(32)31(19-24-3-2-16-30-17-24)18-22-8-14-27(15-9-22)33-20-23-6-12-26(29)13-7-23/h2-17H,18-20H2,1H3
• InChIKey: HEMYGXPCOXQIDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({4-[(4-fluorophenyl)methoxy]phenyl}methyl)-4-methyl-N-(pyridin-3-ylmethyl)benzamide
• IUPAC Traditional name: N-({4-[(4-fluorophenyl)methoxy]phenyl}methyl)-4-methyl-N-(pyridin-3-ylmethyl)benzamide
• Synonyms: N-{4-[(4-fluorobenzyl)oxy]benzyl}-4-methyl-N-(3-pyridinylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.653186
• LogD (pH = 7.4): 5.7244277
• Log P: 5.725437
• Molar Refractivity: 128.3315 cm^3
• Polarizability: 48.648273 Å^3
• Polar Surface Area: 42.43 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: 4.77
• LOG S: -6.73
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 8