2-(4-fluorophenyl)-N-({3-[2-(2-fluorophenyl)ethoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)acetamide

• ChemBase编号: 409352
• 分子式: C28H29F2NO3
• 平均质量: 465.5315664
• 单一同位素质量: 465.21155023
• SMILES: C(=O)(N(Cc1cc(OCCc2c(F)cccc2)ccc1)CC1OCCC1)Cc1ccc(F)cc1
• Canonical SMILES: Fc1ccc(cc1)CC(=O)N(Cc1cccc(c1)OCCc1ccccc1F)CC1CCCO1
• InChI: InChI=1S/C28H29F2NO3/c29-24-12-10-21(11-13-24)18-28(32)31(20-26-8-4-15-33-26)19-22-5-3-7-25(17-22)34-16-14-23-6-1-2-9-27(23)30/h1-3,5-7,9-13,17,26H,4,8,14-16,18-20H2
• InChIKey: RWJOWFNKFASQGP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(4-fluorophenyl)-N-({3-[2-(2-fluorophenyl)ethoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)acetamide
• IUPAC传统名: 2-(4-fluorophenyl)-N-({3-[2-(2-fluorophenyl)ethoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)acetamide
• 别名: 2-(4-fluorophenyl)-N-{3-[2-(2-fluorophenyl)ethoxy]benzyl}-N-(tetrahydro-2-furanylmethyl)acetamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 5.5353327
• LogD (pH = 7.4): 5.5353327
• Log P: 5.5353327
• 摩尔折射率: 128.1121 cm^3
• 极化性: 49.013412 Å^3
• 极化表面积: 38.77 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 5.74
• LOG S: -6.84
• 极化表面积: 38.77 Å^2
• 可自由旋转的化学键: 10