N-ethyl-N-phenyl-2-(trifluoromethyl)benzamide

• ChemBase ID: 299602
• Molecular Formular: C16H14F3NO
• Molecular Mass: 293.2836696
• Monoisotopic Mass: 293.10274873
• SMILES: C(C)N(C(=O)c1c(cccc1)C(F)(F)F)c1ccccc1
• Canonical SMILES: CCN(C(=O)c1ccccc1C(F)(F)F)c1ccccc1
• InChI: InChI=1S/C16H14F3NO/c1-2-20(12-8-4-3-5-9-12)15(21)13-10-6-7-11-14(13)16(17,18)19/h3-11H,2H2,1H3
• InChIKey: IUZQLVBPHOVNFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-phenyl-2-(trifluoromethyl)benzamide
• IUPAC Traditional name: N-ethyl-N-phenyl-2-(trifluoromethyl)benzamide
• Synonyms: N-Ethyl-N-phenyl-2-(trifluoromethyl)benzamide

Database IDs

• PubChem SID: 180685133
• PubChem CID: 71304902

CALCULATED PROPERTIES

• Polarizability: 27.620626 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): 4.163853
• LogD (pH = 7.4): 4.163853
• Log P: 4.163853
• Molar Refractivity: 75.4297 cm^3

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• 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%