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

• ChemBase编号: 452775
• 分子式: C23H26FNO2
• 平均质量: 367.4564432
• 单一同位素质量: 367.1947573
• SMILES: C(=O)(N(Cc1cc(OCc2ccc(F)cc2)ccc1)C1CCCC1)C1CC1
• Canonical SMILES: Fc1ccc(cc1)COc1cccc(c1)CN(C(=O)C1CC1)C1CCCC1
• InChI: InChI=1S/C23H26FNO2/c24-20-12-8-17(9-13-20)16-27-22-7-3-4-18(14-22)15-25(21-5-1-2-6-21)23(26)19-10-11-19/h3-4,7-9,12-14,19,21H,1-2,5-6,10-11,15-16H2
• InChIKey: BDFVWHGOGOKJKN-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.9855385
• LogD (pH = 7.4): 4.985539
• Log P: 4.985539
• 摩尔折射率: 103.9765 cm^3
• 极化性: 40.24657 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: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 0
• Log P: 4.62
• LOG S: -5.07
• 极化表面积: 29.54 Å^2
• 可自由旋转的化学键: 7