2-(3-chlorophenyl)-N,N-dimethylbenzamide

• ChemBase ID: 753612
• Molecular Formular: C15H14ClNO
• Molecular Mass: 259.73076
• Monoisotopic Mass: 259.07639175
• SMILES: C(=O)(c1c(c2cc(Cl)ccc2)cccc1)N(C)C
• Canonical SMILES: Clc1cccc(c1)c1ccccc1C(=O)N(C)C
• InChI: InChI=1S/C15H14ClNO/c1-17(2)15(18)14-9-4-3-8-13(14)11-6-5-7-12(16)10-11/h3-10H,1-2H3
• InChIKey: HYVCXAJNXMMDSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-chlorophenyl)-N,N-dimethylbenzamide
• IUPAC Traditional name: 2-(3-chlorophenyl)-N,N-dimethylbenzamide
• Synonyms: 3'-chloro-N,N-dimethylbiphenyl-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5225081
• LogD (pH = 7.4): 3.5225084
• Log P: 3.5225084
• Molar Refractivity: 74.8708 cm^3
• Polarizability: 29.66987 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 0
• Log P: 2.46
• LOG S: -3.2
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 2