N-cyclopentyl-N-({4-[2-(2-fluorophenyl)ethoxy]phenyl}methyl)furan-2-carboxamide

• ChemBase编号: 699758
• 分子式: C25H26FNO3
• 平均质量: 407.4772432
• 单一同位素质量: 407.18967192
• SMILES: C(=O)(N(Cc1ccc(cc1)OCCc1c(F)cccc1)C1CCCC1)c1occc1
• Canonical SMILES: O=C(N(C1CCCC1)Cc1ccc(cc1)OCCc1ccccc1F)c1ccco1
• InChI: InChI=1S/C25H26FNO3/c26-23-9-4-1-6-20(23)15-17-29-22-13-11-19(12-14-22)18-27(21-7-2-3-8-21)25(28)24-10-5-16-30-24/h1,4-6,9-14,16,21H,2-3,7-8,15,17-18H2
• InChIKey: SAILYGPYJSJOLT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopentyl-N-({4-[2-(2-fluorophenyl)ethoxy]phenyl}methyl)furan-2-carboxamide
• IUPAC传统名: N-cyclopentyl-N-({4-[2-(2-fluorophenyl)ethoxy]phenyl}methyl)furan-2-carboxamide
• 别名: N-cyclopentyl-N-{4-[2-(2-fluorophenyl)ethoxy]benzyl}-2-furamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.408825
• LogD (pH = 7.4): 5.408825
• Log P: 5.408825
• 摩尔折射率: 114.3937 cm^3
• 极化性: 43.476162 Å^3
• 极化表面积: 42.68 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: 3
• 质子供体: 0
• Log P: 5.6
• LOG S: -5.99
• 极化表面积: 42.68 Å^2
• 可自由旋转的化学键: 8