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

• ChemBase编号: 346543
• 分子式: C19H22FN3O
• 平均质量: 327.3958832
• 单一同位素质量: 327.17469056
• SMILES: C(=O)(N(C1CC1)Cc1ncccc1)C(c1c(F)cccc1)N(C)C
• Canonical SMILES: Fc1ccccc1C(C(=O)N(C1CC1)Cc1ccccn1)N(C)C
• InChI: InChI=1S/C19H22FN3O/c1-22(2)18(16-8-3-4-9-17(16)20)19(24)23(15-10-11-15)13-14-7-5-6-12-21-14/h3-9,12,15,18H,10-11,13H2,1-2H3
• InChIKey: WGJYVJWUHHERJR-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.5523149
• LogD (pH = 7.4): 2.4073844
• Log P: 2.4415307
• 摩尔折射率: 91.4073 cm^3
• 极化性: 35.405247 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: 2.17
• LOG S: -2.14
• 极化表面积: 36.44 Å^2
• 可自由旋转的化学键: 6