N-(4-fluoro-2-methylphenyl)-2-methoxybenzamide

• ChemBase ID: 300326
• Molecular Formular: C15H14FNO2
• Molecular Mass: 259.2755632
• Monoisotopic Mass: 259.10085691
• SMILES: Cc1cc(ccc1NC(=O)c1ccccc1OC)F
• Canonical SMILES: COc1ccccc1C(=O)Nc1ccc(cc1C)F
• InChI: InChI=1S/C15H14FNO2/c1-10-9-11(16)7-8-13(10)17-15(18)12-5-3-4-6-14(12)19-2/h3-9H,1-2H3,(H,17,18)
• InChIKey: LKENJYKMFLJHLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-fluoro-2-methylphenyl)-2-methoxybenzamide
• IUPAC Traditional name: N-(4-fluoro-2-methylphenyl)-2-methoxybenzamide
• Synonyms: N-(4-Fluoro-2-methylphenyl)-2-methoxybenzamide

Database IDs

• CAS Number: 895666-55-4
• MDL Number: MFCD07264152

CALCULATED PROPERTIES

• Acid pKa: 13.161691
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.5635827
• LogD (pH = 7.4): 3.563582
• Log P: 3.5635827
• Molar Refractivity: 73.3123 cm^3
• Polarizability: 26.88097 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%