2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide

• ChemBase ID: 238620
• Molecular Formular: C14H10F3NO2
• Molecular Mass: 281.2299096
• Monoisotopic Mass: 281.06636323
• SMILES: C(=O)(c1c(O)cccc1)Nc1cc(C(F)(F)F)ccc1
• Canonical SMILES: O=C(c1ccccc1O)Nc1cccc(c1)C(F)(F)F
• InChI: InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-13(20)11-6-1-2-7-12(11)19/h1-8,19H,(H,18,20)
• InChIKey: WQDAVGDBWHWDSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
• IUPAC Traditional name: salfluverine
• Synonyms: 2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide

Database IDs

• MDL Number: MFCD00868387
• PubChem SID: 164294530
• PubChem CID: 68519

CALCULATED PROPERTIES

• Acid pKa: 7.929616
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.6378138
• LogD (pH = 7.4): 3.5279737
• Log P: 3.6394138
• Molar Refractivity: 69.5461 cm^3
• Polarizability: 24.66074 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.606

Product Information

• Purity: 95%