2-chloro-N-(2-chloroacetyl)benzamide

• ChemBase ID: 232028
• Molecular Formular: C9H7Cl2NO2
• Molecular Mass: 232.06338
• Monoisotopic Mass: 230.98538383
• SMILES: C(=O)(c1c(Cl)cccc1)NC(=O)CCl
• Canonical SMILES: ClCC(=O)NC(=O)c1ccccc1Cl
• InChI: InChI=1S/C9H7Cl2NO2/c10-5-8(13)12-9(14)6-3-1-2-4-7(6)11/h1-4H,5H2,(H,12,13,14)
• InChIKey: LXMGWCSUYICVQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(2-chloroacetyl)benzamide
• IUPAC Traditional name: 2-chloro-N-(2-chloroacetyl)benzamide
• Synonyms: 2-Chloro-N-(2-chloro-acetyl)-benzamide

Database IDs

• MDL Number: MFCD03987298
• PubChem SID: 164287938
• PubChem CID: 2393267

CALCULATED PROPERTIES

• Acid pKa: 7.3990965
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9319012
• LogD (pH = 7.4): 1.6409248
• Log P: 1.9538829
• Molar Refractivity: 54.2603 cm^3
• Polarizability: 20.756294 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.369

Product Information

• Purity: 95%