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

• ChemBase编号: 780278
• 分子式: C23H28FNO2
• 平均质量: 369.4723232
• 单一同位素质量: 369.21040736
• SMILES: N(C(=O)CC)(Cc1ccc(cc1)OCCc1c(F)cccc1)C1CCCC1
• Canonical SMILES: CCC(=O)N(C1CCCC1)Cc1ccc(cc1)OCCc1ccccc1F
• InChI: InChI=1S/C23H28FNO2/c1-2-23(26)25(20-8-4-5-9-20)17-18-11-13-21(14-12-18)27-16-15-19-7-3-6-10-22(19)24/h3,6-7,10-14,20H,2,4-5,8-9,15-17H2,1H3
• InChIKey: NJJGLPFFHYTRRA-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.1949396
• LogD (pH = 7.4): 5.1949396
• Log P: 5.1949396
• 摩尔折射率: 105.9592 cm^3
• 极化性: 40.90341 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: 5.12
• LOG S: -6.21
• 极化表面积: 29.54 Å^2
• 可自由旋转的化学键: 7