2-(2-chloroacetamido)-N-(4-chlorophenyl)benzamide

• ChemBase ID: 251205
• Molecular Formular: C15H12Cl2N2O2
• Molecular Mass: 323.17398
• Monoisotopic Mass: 322.02758299
• SMILES: C(=O)(c1c(NC(=O)CCl)cccc1)Nc1ccc(Cl)cc1
• Canonical SMILES: ClCC(=O)Nc1ccccc1C(=O)Nc1ccc(cc1)Cl
• InChI: InChI=1S/C15H12Cl2N2O2/c16-9-14(20)19-13-4-2-1-3-12(13)15(21)18-11-7-5-10(17)6-8-11/h1-8H,9H2,(H,18,21)(H,19,20)
• InChIKey: XQHYCOJRNAZHKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chloroacetamido)-N-(4-chlorophenyl)benzamide
• IUPAC Traditional name: 2-(2-chloroacetamido)-N-(4-chlorophenyl)benzamide
• Synonyms: 2-[(chloroacetyl)amino]-N-(4-chlorophenyl)benzamide

Database IDs

• MDL Number: MFCD09373404
• PubChem SID: 164307115
• PubChem CID: 16226842

CALCULATED PROPERTIES

• Acid pKa: 11.3053055
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.444229
• LogD (pH = 7.4): 3.444178
• Log P: 3.4442294
• Molar Refractivity: 86.0125 cm^3
• Polarizability: 31.548973 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.847

Product Information

• Purity: 95%