N-{[3-(cyclopentyloxy)-4-methoxyphenyl]methyl}-4-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)benzamide

• ChemBase ID: 515913
• Molecular Formular: C32H31FN2O3
• Molecular Mass: 510.5985432
• Monoisotopic Mass: 510.23187108
• SMILES: N(C(=O)c1ccc(c2cc(F)ccc2)cc1)(Cc1cc(OC2CCCC2)c(cc1)OC)Cc1ccncc1
• Canonical SMILES: COc1ccc(cc1OC1CCCC1)CN(C(=O)c1ccc(cc1)c1cccc(c1)F)Cc1ccncc1
• InChI: InChI=1S/C32H31FN2O3/c1-37-30-14-9-24(19-31(30)38-29-7-2-3-8-29)22-35(21-23-15-17-34-18-16-23)32(36)26-12-10-25(11-13-26)27-5-4-6-28(33)20-27/h4-6,9-20,29H,2-3,7-8,21-22H2,1H3
• InChIKey: RRFBWQISYVHXGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[3-(cyclopentyloxy)-4-methoxyphenyl]methyl}-4-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)benzamide
• IUPAC Traditional name: N-{[3-(cyclopentyloxy)-4-methoxyphenyl]methyl}-4-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)benzamide
• Synonyms: N-[3-(cyclopentyloxy)-4-methoxybenzyl]-3'-fluoro-N-(4-pyridinylmethyl)-4-biphenylcarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 6.2222013
• LogD (pH = 7.4): 6.330179
• Log P: 6.3317986
• Molar Refractivity: 146.6903 cm^3
• Polarizability: 57.40341 Å^3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 5.62
• LOG S: -7.43
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 8