N-(2-amino-5-chlorophenyl)acetamide

• ChemBase ID: 267654
• Molecular Formular: C8H9ClN2O
• Molecular Mass: 184.62286
• Monoisotopic Mass: 184.0403406
• SMILES: c1(NC(=O)C)cc(ccc1N)Cl
• Canonical SMILES: CC(=O)Nc1cc(Cl)ccc1N
• InChI: InChI=1S/C8H9ClN2O/c1-5(12)11-8-4-6(9)2-3-7(8)10/h2-4H,10H2,1H3,(H,11,12)
• InChIKey: IYTMUKDCYMGZDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-amino-5-chlorophenyl)acetamide
• IUPAC Traditional name: N-(2-amino-5-chlorophenyl)acetamide
• Synonyms: N-(2-amino-5-chlorophenyl)acetamide

Database IDs

• MDL Number: MFCD09047737
• PubChem SID: 164323564
• PubChem CID: 13032406

CALCULATED PROPERTIES

• LogD (pH = 7.4): 0.98606783
• Log P: 0.9860749
• Molar Refractivity: 50.4262 cm^3
• Polarizability: 18.231968 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 13.765346
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.98552525

PROPERTIES

Physical Property

• Melting Point: 137 - 139°C
• Hydrophobicity(logP): 1.004

Product Information

• Purity: 95%