2-chloro-N-(2-hydroxyphenyl)acetamide

• ChemBase ID: 252542
• Molecular Formular: C8H8ClNO2
• Molecular Mass: 185.60762
• Monoisotopic Mass: 185.02435618
• SMILES: N(c1c(O)cccc1)C(=O)CCl
• Canonical SMILES: ClCC(=O)Nc1ccccc1O
• InChI: InChI=1S/C8H8ClNO2/c9-5-8(12)10-6-3-1-2-4-7(6)11/h1-4,11H,5H2,(H,10,12)
• InChIKey: PLLWMLQTDMZVDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(2-hydroxyphenyl)acetamide
• IUPAC Traditional name: 2-chloro-N-(2-hydroxyphenyl)acetamide
• Synonyms: 2-chloro-N-(2-hydroxyphenyl)acetamide

Database IDs

• MDL Number: MFCD00086381
• PubChem SID: 164308452
• PubChem CID: 350567

CALCULATED PROPERTIES

• Acid pKa: 8.776106
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.4445063
• LogD (pH = 7.4): 1.4269605
• Log P: 1.4447347
• Molar Refractivity: 47.6551 cm^3
• Polarizability: 17.689472 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.337

Product Information

• Purity: 95%