2-(dimethylamino)-2-(4-fluorophenyl)-N-propyl-N-(pyridin-3-ylmethyl)acetamide

• ChemBase编号: 613894
• 分子式: C19H24FN3O
• 平均质量: 329.4117632
• 单一同位素质量: 329.19034062
• SMILES: C(=O)(N(Cc1cnccc1)CCC)C(c1ccc(cc1)F)N(C)C
• Canonical SMILES: CCCN(C(=O)C(c1ccc(cc1)F)N(C)C)Cc1cccnc1
• InChI: InChI=1S/C19H24FN3O/c1-4-12-23(14-15-6-5-11-21-13-15)19(24)18(22(2)3)16-7-9-17(20)10-8-16/h5-11,13,18H,4,12,14H2,1-3H3
• InChIKey: RHPBCFUPJVXZTQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(dimethylamino)-2-(4-fluorophenyl)-N-propyl-N-(pyridin-3-ylmethyl)acetamide
• IUPAC传统名: 2-(dimethylamino)-2-(4-fluorophenyl)-N-propyl-N-(pyridin-3-ylmethyl)acetamide
• 别名: 2-(dimethylamino)-2-(4-fluorophenyl)-N-propyl-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): 1.1347367
• LogD (pH = 7.4): 2.6094058
• Log P: 2.7738247
• 摩尔折射率: 93.9909 cm^3
• 极化性: 36.131477 Å^3
• 极化表面积: 36.44 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 2.92
• LOG S: -2.8
• 极化表面积: 36.44 Å^2
• 可自由旋转的化学键: 7