N-(3,5-dimethoxyphenyl)-2,6-difluorobenzamide

• ChemBase ID: 300151
• Molecular Formular: C15H13F2NO3
• Molecular Mass: 293.2654264
• Monoisotopic Mass: 293.08634972
• SMILES: COc1cc(cc(c1)OC)NC(=O)c1c(cccc1F)F
• Canonical SMILES: COc1cc(cc(c1)OC)NC(=O)c1c(F)cccc1F
• InChI: InChI=1S/C15H13F2NO3/c1-20-10-6-9(7-11(8-10)21-2)18-15(19)14-12(16)4-3-5-13(14)17/h3-8H,1-2H3,(H,18,19)
• InChIKey: ULHKEHDMXOVKII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,5-dimethoxyphenyl)-2,6-difluorobenzamide
• IUPAC Traditional name: N-(3,5-dimethoxyphenyl)-2,6-difluorobenzamide
• Synonyms: 2,6-Difluoro-N-(3,5-dimethoxyphenyl)benzamide

Database IDs

• MDL Number: MFCD07830998

CALCULATED PROPERTIES

• Acid pKa: 10.726913
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.0351896
• LogD (pH = 7.4): 3.0349977
• Log P: 3.035192
• Molar Refractivity: 74.9507 cm^3
• Polarizability: 27.406788 Å^3
• Polar Surface Area: 47.56 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%