2-(dimethylamino)-2-(4-fluorophenyl)-N-(1-propylcyclopropyl)acetamide

• ChemBase编号: 625532
• 分子式: C16H23FN2O
• 平均质量: 278.3650232
• 单一同位素质量: 278.17944159
• SMILES: C(=O)(NC1(CC1)CCC)C(c1ccc(cc1)F)N(C)C
• Canonical SMILES: CCCC1(CC1)NC(=O)C(c1ccc(cc1)F)N(C)C
• InChI: InChI=1S/C16H23FN2O/c1-4-9-16(10-11-16)18-15(20)14(19(2)3)12-5-7-13(17)8-6-12/h5-8,14H,4,9-11H2,1-3H3,(H,18,20)
• InChIKey: GIOSHLXFQFPZIE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(dimethylamino)-2-(4-fluorophenyl)-N-(1-propylcyclopropyl)acetamide
• IUPAC传统名: 2-(dimethylamino)-2-(4-fluorophenyl)-N-(1-propylcyclopropyl)acetamide
• 别名: 2-(dimethylamino)-2-(4-fluorophenyl)-N-(1-propylcyclopropyl)acetamide

理论计算性质

JChem

• Acid pKa: 14.659802
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 1.3546838
• LogD (pH = 7.4): 2.727757
• Log P: 2.8772497
• 摩尔折射率: 78.3403 cm^3
• 极化性: 30.39571 Å^3
• 极化表面积: 32.34 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: 2
• 质子供体: 1
• Log P: 3.02
• LOG S: -3.81
• 极化表面积: 32.34 Å^2
• 可自由旋转的化学键: 6