2-methoxy-N-phenylbenzamide

• ChemBase ID: 300450
• Molecular Formular: C14H13NO2
• Molecular Mass: 227.25852
• Monoisotopic Mass: 227.09462866
• SMILES: COc1ccccc1C(=O)Nc1ccccc1
• Canonical SMILES: COc1ccccc1C(=O)Nc1ccccc1
• InChI: InChI=1S/C14H13NO2/c1-17-13-10-6-5-9-12(13)14(16)15-11-7-3-2-4-8-11/h2-10H,1H3,(H,15,16)
• InChIKey: RZGWIZIPFZROQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-N-phenylbenzamide
• IUPAC Traditional name: 2-methoxy-N-phenylbenzamide
• Synonyms: 2-Methoxy-N-phenylbenzamide

Database IDs

• CAS Number: 6833-21-2
• MDL Number: MFCD00578731

CALCULATED PROPERTIES

• Acid pKa: 13.480211
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9074593
• LogD (pH = 7.4): 2.907459
• Log P: 2.9074593
• Molar Refractivity: 68.0547 cm^3
• Polarizability: 25.457485 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 3
• 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%