2-hydroxy-N-[4-(trifluoromethoxy)phenyl]benzamide

• ChemBase ID: 238623
• Molecular Formular: C14H10F3NO3
• Molecular Mass: 297.2293096
• Monoisotopic Mass: 297.06127785
• SMILES: C(=O)(c1c(O)cccc1)Nc1ccc(OC(F)(F)F)cc1
• Canonical SMILES: O=C(c1ccccc1O)Nc1ccc(cc1)OC(F)(F)F
• InChI: InChI=1S/C14H10F3NO3/c15-14(16,17)21-10-7-5-9(6-8-10)18-13(20)11-3-1-2-4-12(11)19/h1-8,19H,(H,18,20)
• InChIKey: FTUBVPDEKVSHHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-N-[4-(trifluoromethoxy)phenyl]benzamide
• IUPAC Traditional name: 2-hydroxy-N-[4-(trifluoromethoxy)phenyl]benzamide
• Synonyms: 2-hydroxy-N-[4-(trifluoromethoxy)phenyl]benzamide

Database IDs

• MDL Number: MFCD13557280
• PubChem SID: 164294533
• PubChem CID: 9926204

CALCULATED PROPERTIES

• Acid pKa: 7.9299088
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 4.191078
• LogD (pH = 7.4): 4.0813026
• Log P: 4.192677
• Molar Refractivity: 66.6427 cm^3
• Polarizability: 25.431782 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.457

Product Information

• Purity: 95%