N-(5-chloro-2-hydroxyphenyl)-2-(chloromethyl)benzamide

• ChemBase ID: 78845
• Molecular Formular: C14H11Cl2NO2
• Molecular Mass: 296.14864
• Monoisotopic Mass: 295.01668396
• SMILES: N(c1cc(ccc1O)Cl)C(=O)c1ccccc1CCl
• Canonical SMILES: ClCc1ccccc1C(=O)Nc1cc(Cl)ccc1O
• InChI: InChI=1S/C14H11Cl2NO2/c15-8-9-3-1-2-4-11(9)14(19)17-12-7-10(16)5-6-13(12)18/h1-7,18H,8H2,(H,17,19)
• InChIKey: RJLDFNIDYBRLQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-chloro-2-hydroxyphenyl)-2-(chloromethyl)benzamide
• IUPAC Traditional name: N-(5-chloro-2-hydroxyphenyl)-2-(chloromethyl)benzamide
• Synonyms: N1-(5-chloro-2-hydroxyphenyl)-2-(chloromethyl)benzamide

Database IDs

• MDL Number: MFCD00277344
• PubChem SID: 162043608
• PubChem CID: 2774351

CALCULATED PROPERTIES

• Acid pKa: 8.216262
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.9520247
• LogD (pH = 7.4): 3.8916583
• Log P: 3.952852
• Molar Refractivity: 78.2441 cm^3
• Polarizability: 29.09453 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true