N-cyclopropyl-2-(dimethylamino)-2-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)acetamide

• ChemBase编号: 677452
• 分子式: C19H22FN3O
• 平均质量: 327.3958832
• 单一同位素质量: 327.17469056
• SMILES: C(=O)(N(C1CC1)Cc1cnccc1)C(c1c(F)cccc1)N(C)C
• Canonical SMILES: CN(C(c1ccccc1F)C(=O)N(C1CC1)Cc1cccnc1)C
• InChI: InChI=1S/C19H22FN3O/c1-22(2)18(16-7-3-4-8-17(16)20)19(24)23(15-9-10-15)13-14-6-5-11-21-12-14/h3-8,11-12,15,18H,9-10,13H2,1-2H3
• InChIKey: WUAIKPRRHLAUFQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopropyl-2-(dimethylamino)-2-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)acetamide
• IUPAC传统名: N-cyclopropyl-2-(dimethylamino)-2-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)acetamide
• 别名: N-cyclopropyl-2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-pyridinylmethyl)acetamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.4162155
• LogD (pH = 7.4): 2.3251276
• Log P: 2.3600588
• 摩尔折射率: 91.9295 cm^3
• 极化性: 35.4044 Å^3
• 极化表面积: 36.44 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 2.22
• LOG S: -2.18
• 极化表面积: 36.44 Å^2
• 可自由旋转的化学键: 6