4-fluoro-N-(4-hydroxyphenyl)benzamide

• ChemBase ID: 270005
• Molecular Formular: C13H10FNO2
• Molecular Mass: 231.2224032
• Monoisotopic Mass: 231.06955679
• SMILES: C(=O)(Nc1ccc(cc1)O)c1ccc(cc1)F
• Canonical SMILES: Oc1ccc(cc1)NC(=O)c1ccc(cc1)F
• InChI: InChI=1S/C13H10FNO2/c14-10-3-1-9(2-4-10)13(17)15-11-5-7-12(16)8-6-11/h1-8,16H,(H,15,17)
• InChIKey: BIEXWTLSOKJVPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-N-(4-hydroxyphenyl)benzamide
• IUPAC Traditional name: 4-fluoro-N-(4-hydroxyphenyl)benzamide
• Synonyms: 4-fluoro-N-(4-hydroxyphenyl)benzamide

Database IDs

• MDL Number: MFCD00442114
• PubChem SID: 164325915
• PubChem CID: 4516492

CALCULATED PROPERTIES

• Acid pKa: 9.438233
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.9042175
• LogD (pH = 7.4): 2.9003322
• Log P: 2.9042673
• Molar Refractivity: 63.7888 cm^3
• Polarizability: 23.21156 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.328

Product Information

• Purity: 95%