N-({3-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide

• ChemBase ID: 839689
• Molecular Formular: C29H24F4N2O2
• Molecular Mass: 508.5066728
• Monoisotopic Mass: 508.1773909
• SMILES: N(C(=O)c1ccc(C(F)(F)F)cc1)(Cc1cc(OCCc2ccc(F)cc2)ccc1)Cc1ccncc1
• Canonical SMILES: Fc1ccc(cc1)CCOc1cccc(c1)CN(C(=O)c1ccc(cc1)C(F)(F)F)Cc1ccncc1
• InChI: InChI=1S/C29H24F4N2O2/c30-26-10-4-21(5-11-26)14-17-37-27-3-1-2-23(18-27)20-35(19-22-12-15-34-16-13-22)28(36)24-6-8-25(9-7-24)29(31,32)33/h1-13,15-16,18H,14,17,19-20H2
• InChIKey: DJGOIQOFIOYUBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({3-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide
• IUPAC Traditional name: N-({3-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide
• Synonyms: N-{3-[2-(4-fluorophenyl)ethoxy]benzyl}-N-(4-pyridinylmethyl)-4-(trifluoromethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.268928
• LogD (pH = 7.4): 6.376906
• Log P: 6.3785257
• Molar Refractivity: 134.019 cm^3
• Polarizability: 49.647182 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 5.62
• LOG S: -8.06
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 9