N-(5-chloro-2-hydroxyphenyl)acetamide

• ChemBase ID: 158889
• Molecular Formular: C8H8ClNO2
• Molecular Mass: 185.60762
• Monoisotopic Mass: 185.02435618
• SMILES: c1c(cc(c(c1)O)NC(=O)C)Cl
• Canonical SMILES: CC(=O)Nc1cc(Cl)ccc1O
• InChI: InChI=1S/C8H8ClNO2/c1-5(11)10-7-4-6(9)2-3-8(7)12/h2-4,12H,1H3,(H,10,11)
• InChIKey: HGDAFIJKXCFHPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-chloro-2-hydroxyphenyl)acetamide
• IUPAC Traditional name: N-(5-chloro-2-hydroxyphenyl)acetamide
• Synonyms: N-(5-Chloro-2-hydroxyphenyl)acetamide; 5'-Chloro-2'-hydroxy-acetanilide; 4-Chloro-2-acetamidophenol; NSC 26186; 2-Acetylamino-4-chlorophenol

Database IDs

• CAS Number: 26488-93-7
• PubChem SID: 162253024
• PubChem CID: 95258

CALCULATED PROPERTIES

• Acid pKa: 8.248859
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.5106671
• LogD (pH = 7.4): 1.4543278
• Log P: 1.5114355
• Molar Refractivity: 47.7067 cm^3
• Polarizability: 17.727255 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Ethyl Acetate
• Apperance: Light Brown Solid
• Melting Point: 182-184°C

Safety Information

• Storage Condition: Refrigerator