2-cyclopentyl-N-cyclopropyl-N-({3-[(2-fluorophenyl)methoxy]phenyl}methyl)acetamide

• ChemBase编号: 409230
• 分子式: C24H28FNO2
• 平均质量: 381.4830232
• 单一同位素质量: 381.21040736
• SMILES: C(=O)(N(C1CC1)Cc1cc(OCc2c(F)cccc2)ccc1)CC1CCCC1
• Canonical SMILES: O=C(N(C1CC1)Cc1cccc(c1)OCc1ccccc1F)CC1CCCC1
• InChI: InChI=1S/C24H28FNO2/c25-23-11-4-3-9-20(23)17-28-22-10-5-8-19(14-22)16-26(21-12-13-21)24(27)15-18-6-1-2-7-18/h3-5,8-11,14,18,21H,1-2,6-7,12-13,15-17H2
• InChIKey: XYAWJPLUFIKCCF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-cyclopentyl-N-cyclopropyl-N-({3-[(2-fluorophenyl)methoxy]phenyl}methyl)acetamide
• IUPAC传统名: 2-cyclopentyl-N-cyclopropyl-N-({3-[(2-fluorophenyl)methoxy]phenyl}methyl)acetamide
• 别名: 2-cyclopentyl-N-cyclopropyl-N-{3-[(2-fluorobenzyl)oxy]benzyl}acetamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.1741395
• LogD (pH = 7.4): 5.1741405
• Log P: 5.1741405
• 摩尔折射率: 108.5516 cm^3
• 极化性: 42.087654 Å^3
• 极化表面积: 29.54 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

Provided by Chembridge

• 质子受体: 2
• 质子供体: 0
• Log P: 5.24
• LOG S: -6.08
• 极化表面积: 29.54 Å^2
• 可自由旋转的化学键: 8