2-chloro-N-(2-ethoxyphenyl)benzamide

• ChemBase ID: 300333
• Molecular Formular: C15H14ClNO2
• Molecular Mass: 275.73016
• Monoisotopic Mass: 275.07130637
• SMILES: CCOc1ccccc1NC(=O)c1ccccc1Cl
• Canonical SMILES: CCOc1ccccc1NC(=O)c1ccccc1Cl
• InChI: InChI=1S/C15H14ClNO2/c1-2-19-14-10-6-5-9-13(14)17-15(18)11-7-3-4-8-12(11)16/h3-10H,2H2,1H3,(H,17,18)
• InChIKey: HCVDSRIMWPYNSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 196803-91-5
• MDL Number: MFCD00090977

CALCULATED PROPERTIES

• Acid pKa: 12.904972
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.868312
• LogD (pH = 7.4): 3.8683107
• Log P: 3.868312
• Molar Refractivity: 77.6081 cm^3
• Polarizability: 29.177673 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• 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%