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

• ChemBase ID: 299794
• Molecular Formular: C17H16F3NO
• Molecular Mass: 307.3102496
• Monoisotopic Mass: 307.1183988
• SMILES: CCN(c1ccccc1C)C(=O)c1cccc(c1)C(F)(F)F
• Canonical SMILES: CCN(c1ccccc1C)C(=O)c1cccc(c1)C(F)(F)F
• InChI: InChI=1S/C17H16F3NO/c1-3-21(15-10-5-4-7-12(15)2)16(22)13-8-6-9-14(11-13)17(18,19)20/h4-11H,3H2,1-2H3
• InChIKey: DLWUJVQRAUDJLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-(2-methylphenyl)-3-(trifluoromethyl)benzamide
• IUPAC Traditional name: N-ethyl-N-(2-methylphenyl)-3-(trifluoromethyl)benzamide
• Synonyms: N-Ethyl-N-(o-tolyl)-3-(trifluoromethyl)benzamide; N-Ethyl-N-(2-methylphenyl)-3-(trifluoromethyl)benzamide

Database IDs

• MDL Number: MFCD22682919
• PubChem SID: 180685325
• PubChem CID: 73996284

CALCULATED PROPERTIES

• Molar Refractivity: 80.4709 cm^3
• Polarizability: 29.371836 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.6772747
• LogD (pH = 7.4): 4.6772747
• Log P: 4.6772747

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%