N-(2,4-dichlorophenyl)benzamide

• ChemBase ID: 85816
• Molecular Formular: C13H9Cl2NO
• Molecular Mass: 266.12266
• Monoisotopic Mass: 265.00611927
• SMILES: N(c1ccc(cc1Cl)Cl)C(=O)c1ccccc1
• Canonical SMILES: Clc1ccc(c(c1)Cl)NC(=O)c1ccccc1
• InChI: InChI=1S/C13H9Cl2NO/c14-10-6-7-12(11(15)8-10)16-13(17)9-4-2-1-3-5-9/h1-8H,(H,16,17)
• InChIKey: ZRTPCLPWDMPXBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,4-dichlorophenyl)benzamide
• IUPAC Traditional name: N-(2,4-dichlorophenyl)benzamide
• Synonyms: N1-(2,4-dichlorophenyl)benzamide

Database IDs

• CAS Number: 10286-76-7
• MDL Number: MFCD00018345
• PubChem SID: 162072932
• PubChem CID: 570154

CALCULATED PROPERTIES

• Acid pKa: 10.430104
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.2732153
• LogD (pH = 7.4): 4.2728353
• Log P: 4.27322
• Molar Refractivity: 71.2011 cm^3
• Polarizability: 26.692263 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true