N-cyclopentyl-N-({3-[(4-fluorophenyl)methoxy]phenyl}methyl)cyclobutanecarboxamide

• ChemBase编号: 510299
• 分子式: C24H28FNO2
• 平均质量: 381.4830232
• 单一同位素质量: 381.21040736
• SMILES: C(=O)(N(Cc1cc(OCc2ccc(F)cc2)ccc1)C1CCCC1)C1CCC1
• Canonical SMILES: Fc1ccc(cc1)COc1cccc(c1)CN(C(=O)C1CCC1)C1CCCC1
• InChI: InChI=1S/C24H28FNO2/c25-21-13-11-18(12-14-21)17-28-23-10-3-5-19(15-23)16-26(22-8-1-2-9-22)24(27)20-6-4-7-20/h3,5,10-15,20,22H,1-2,4,6-9,16-17H2
• InChIKey: QOBCEOXYNSCTFT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopentyl-N-({3-[(4-fluorophenyl)methoxy]phenyl}methyl)cyclobutanecarboxamide
• IUPAC传统名: N-cyclopentyl-N-({3-[(4-fluorophenyl)methoxy]phenyl}methyl)cyclobutanecarboxamide
• 别名: N-cyclopentyl-N-{3-[(4-fluorobenzyl)oxy]benzyl}cyclobutanecarboxamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.4301066
• LogD (pH = 7.4): 5.4301076
• Log P: 5.4301076
• 摩尔折射率: 108.5775 cm^3
• 极化性: 42.08786 Å^3
• 极化表面积: 29.54 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: false

Provided by Chembridge

• 质子受体: 2
• 质子供体: 0
• Log P: 5.18
• LOG S: -5.41
• 极化表面积: 29.54 Å^2
• 可自由旋转的化学键: 7