N-ethyl-2-fluoro-N-(3-methylphenyl)benzamide

• ChemBase ID: 300494
• Molecular Formular: C16H16FNO
• Molecular Mass: 257.3027432
• Monoisotopic Mass: 257.12159236
• SMILES: CCN(c1cccc(c1)C)C(=O)c1ccccc1F
• Canonical SMILES: CCN(C(=O)c1ccccc1F)c1cccc(c1)C
• InChI: InChI=1S/C16H16FNO/c1-3-18(13-8-6-7-12(2)11-13)16(19)14-9-4-5-10-15(14)17/h4-11H,3H2,1-2H3
• InChIKey: GHVWFBDKKHYOBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-2-fluoro-N-(3-methylphenyl)benzamide
• IUPAC Traditional name: N-ethyl-2-fluoro-N-(3-methylphenyl)benzamide
• Synonyms: N-Ethyl-2-fluoro-N-(3-methylphenyl)benzamide

Database IDs

• CAS Number: 881596-57-2
• MDL Number: MFCD07184764

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.942128
• LogD (pH = 7.4): 3.942128
• Log P: 3.942128
• Molar Refractivity: 74.7136 cm^3
• Polarizability: 28.030949 Å^3
• Polar Surface Area: 20.31 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%