2-bromo-N-(4-hydroxyphenyl)benzamide

• ChemBase ID: 251169
• Molecular Formular: C13H10BrNO2
• Molecular Mass: 292.128
• Monoisotopic Mass: 290.98949057
• SMILES: C(=O)(c1c(Br)cccc1)Nc1ccc(cc1)O
• Canonical SMILES: Oc1ccc(cc1)NC(=O)c1ccccc1Br
• InChI: InChI=1S/C13H10BrNO2/c14-12-4-2-1-3-11(12)13(17)15-9-5-7-10(16)8-6-9/h1-8,16H,(H,15,17)
• InChIKey: ORCHLSBZTUMRNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-N-(4-hydroxyphenyl)benzamide
• IUPAC Traditional name: 2-bromo-N-(4-hydroxyphenyl)benzamide
• Synonyms: 2-bromo-N-(4-hydroxyphenyl)benzamide

Database IDs

• CAS Number: 92059-97-7
• MDL Number: MFCD00442171
• PubChem SID: 164307079
• PubChem CID: 4483679

CALCULATED PROPERTIES

• Acid pKa: 9.434312
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.5302677
• LogD (pH = 7.4): 3.526348
• Log P: 3.530318
• Molar Refractivity: 71.1952 cm^3
• Polarizability: 26.316694 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.128

Product Information

• Purity: 95%