N-(2-amino-4-chlorophenyl)acetamide

• ChemBase ID: 265522
• Molecular Formular: C8H9ClN2O
• Molecular Mass: 184.62286
• Monoisotopic Mass: 184.0403406
• SMILES: N(c1c(cc(cc1)Cl)N)C(=O)C
• Canonical SMILES: CC(=O)Nc1ccc(cc1N)Cl
• InChI: InChI=1S/C8H9ClN2O/c1-5(12)11-8-3-2-6(9)4-7(8)10/h2-4H,10H2,1H3,(H,11,12)
• InChIKey: FOIBPMNXVLDNPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-amino-4-chlorophenyl)acetamide
• IUPAC Traditional name: N-(2-amino-4-chlorophenyl)acetamide
• Synonyms: N-(2-amino-4-chlorophenyl)acetamide

Database IDs

• CAS Number: 51223-59-7
• MDL Number: MFCD09043652
• PubChem SID: 164321432
• PubChem CID: 12240789

CALCULATED PROPERTIES

• Acid pKa: 14.096133
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.98562104
• LogD (pH = 7.4): 0.9860691
• Log P: 0.9860749
• Molar Refractivity: 50.4262 cm^3
• Polarizability: 18.239973 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 141 - 143°C
• Hydrophobicity(logP): 1.004

Product Information

• Purity: 95%