3-chloro-N-cyclopentyl-N-({4-[2-(pyridin-2-yl)ethoxy]phenyl}methyl)benzamide

• ChemBase ID: 424290
• Molecular Formular: C26H27ClN2O2
• Molecular Mass: 434.95778
• Monoisotopic Mass: 434.17610579
• SMILES: C(=O)(N(Cc1ccc(cc1)OCCc1ncccc1)C1CCCC1)c1cc(Cl)ccc1
• Canonical SMILES: Clc1cccc(c1)C(=O)N(C1CCCC1)Cc1ccc(cc1)OCCc1ccccn1
• InChI: InChI=1S/C26H27ClN2O2/c27-22-7-5-6-21(18-22)26(30)29(24-9-1-2-10-24)19-20-11-13-25(14-12-20)31-17-15-23-8-3-4-16-28-23/h3-8,11-14,16,18,24H,1-2,9-10,15,17,19H2
• InChIKey: YHFHACKXJFYCOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-N-cyclopentyl-N-({4-[2-(pyridin-2-yl)ethoxy]phenyl}methyl)benzamide
• IUPAC Traditional name: 3-chloro-N-cyclopentyl-N-({4-[2-(pyridin-2-yl)ethoxy]phenyl}methyl)benzamide
• Synonyms: 3-chloro-N-cyclopentyl-N-{4-[2-(2-pyridinyl)ethoxy]benzyl}benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.434115
• LogD (pH = 7.4): 5.6190624
• Log P: 5.6220717
• Molar Refractivity: 123.8565 cm^3
• Polarizability: 47.912262 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: 5.57
• LOG S: -6.84
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 8