N-(3,5-difluorophenyl)-2-methoxybenzamide

• ChemBase ID: 300518
• Molecular Formular: C14H11F2NO2
• Molecular Mass: 263.2394464
• Monoisotopic Mass: 263.07578504
• SMILES: COc1ccccc1C(=O)Nc1cc(cc(c1)F)F
• Canonical SMILES: COc1ccccc1C(=O)Nc1cc(F)cc(c1)F
• InChI: InChI=1S/C14H11F2NO2/c1-19-13-5-3-2-4-12(13)14(18)17-11-7-9(15)6-10(16)8-11/h2-8H,1H3,(H,17,18)
• InChIKey: NEDNYZMCGVZANJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,5-difluorophenyl)-2-methoxybenzamide
• IUPAC Traditional name: N-(3,5-difluorophenyl)-2-methoxybenzamide
• Synonyms: N-(3,5-Difluorophenyl)-2-methoxybenzamide

Database IDs

• CAS Number: 1325672-32-9
• MDL Number: MFCD17814662

CALCULATED PROPERTIES

• Acid pKa: 11.958396
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.192863
• LogD (pH = 7.4): 3.1928518
• Log P: 3.1928632
• Molar Refractivity: 68.4875 cm^3
• Polarizability: 24.851511 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%