4-chloro-N-(5-chloro-2-methylphenyl)benzamide

• ChemBase ID: 301062
• Molecular Formular: C14H11Cl2NO
• Molecular Mass: 280.14924
• Monoisotopic Mass: 279.02176934
• SMILES: Cc1ccc(cc1NC(=O)c1ccc(cc1)Cl)Cl
• Canonical SMILES: Clc1ccc(cc1)C(=O)Nc1cc(Cl)ccc1C
• InChI: InChI=1S/C14H11Cl2NO/c1-9-2-5-12(16)8-13(9)17-14(18)10-3-6-11(15)7-4-10/h2-8H,1H3,(H,17,18)
• InChIKey: IXJXJUIAYRCMDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-N-(5-chloro-2-methylphenyl)benzamide
• IUPAC Traditional name: 4-chloro-N-(5-chloro-2-methylphenyl)benzamide
• Synonyms: 4-Chloro-N-(5-chloro-2-methylphenyl)benzamide

Database IDs

• CAS Number: 301159-93-3
• MDL Number: MFCD00157771

CALCULATED PROPERTIES

• Acid pKa: 13.253277
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.786641
• LogD (pH = 7.4): 4.7866406
• Log P: 4.7866416
• Molar Refractivity: 76.2423 cm^3
• Polarizability: 28.440342 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 97%