N-(3-chloro-2-hydroxyphenyl)acetamide

• ChemBase ID: 56032
• Molecular Formular: C8H8ClNO2
• Molecular Mass: 185.60762
• Monoisotopic Mass: 185.02435618
• SMILES: c1(c(NC(=O)C)cccc1Cl)O
• Canonical SMILES: CC(=O)Nc1cccc(c1O)Cl
• InChI: InChI=1S/C8H8ClNO2/c1-5(11)10-7-4-2-3-6(9)8(7)12/h2-4,12H,1H3,(H,10,11)
• InChIKey: IQLBBNGPBGJWPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-chloro-2-hydroxyphenyl)acetamide
• IUPAC Traditional name: N-(3-chloro-2-hydroxyphenyl)acetamide
• Synonyms: N-(3-Chloro-2-hydroxyphenyl)acetamide

Database IDs

• MDL Number: MFCD12197698
• PubChem SID: 162060795
• PubChem CID: 22168474

CALCULATED PROPERTIES

• Acid pKa: 7.2845926
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.5044163
• LogD (pH = 7.4): 1.153191
• Log P: 1.5114355
• Molar Refractivity: 47.7067 cm^3
• Polarizability: 17.752161 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false