2-chloro-N'-[(2-chloro-6-fluorophenyl)methyl]-N'-phenylacetohydrazide

• ChemBase编号: 95334
• 分子式: C15H13Cl2FN2O
• 平均质量: 327.1809232
• 单一同位素质量: 326.03889663
• SMILES: N(c1ccccc1)(Cc1c(cccc1Cl)F)NC(=O)CCl
• Canonical SMILES: ClCC(=O)NN(c1ccccc1)Cc1c(F)cccc1Cl
• InChI: InChI=1S/C15H13Cl2FN2O/c16-9-15(21)19-20(11-5-2-1-3-6-11)10-12-13(17)7-4-8-14(12)18/h1-8H,9-10H2,(H,19,21)
• InChIKey: ORNUANKXIDQABB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-chloro-N'-[(2-chloro-6-fluorophenyl)methyl]-N'-phenylacetohydrazide
• IUPAC传统名: 2-chloro-N'-[(2-chloro-6-fluorophenyl)methyl]-N'-phenylacetohydrazide
• 别名: N'1-(2-chloro-6-fluorobenzyl)-N'1-phenyl-2-chloroethanohydrazide

登记号

• MDL号: MFCD00117341
• PubChem SID: 162081984
• PubChem CID: 2779590

理论计算性质

• Acid pKa: 10.803489
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 4.1273923
• LogD (pH = 7.4): 4.1272426
• Log P: 4.1273947
• 摩尔折射率: 92.3388 cm^3
• 极化性: 31.216688 Å^3
• 极化表面积: 32.34 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true