4-chloro-N-(4-hydroxyphenyl)benzamide

• ChemBase ID: 234358
• Molecular Formular: C13H10ClNO2
• Molecular Mass: 247.677
• Monoisotopic Mass: 247.04000625
• SMILES: C(=O)(Nc1ccc(cc1)O)c1ccc(cc1)Cl
• Canonical SMILES: Oc1ccc(cc1)NC(=O)c1ccc(cc1)Cl
• InChI: InChI=1S/C13H10ClNO2/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: NBFVHUUXPNDPDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 19207-92-2
• MDL Number: MFCD00020146
• PubChem SID: 164290268
• PubChem CID: 855081

CALCULATED PROPERTIES

• Acid pKa: 9.437911
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.3655603
• LogD (pH = 7.4): 3.3616722
• Log P: 3.36561
• Molar Refractivity: 68.3772 cm^3
• Polarizability: 25.414152 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 246 - 248°C
• Hydrophobicity(logP): 2.898

Product Information

• Purity: 95%