2-amino-4-chlorobenzamide

• ChemBase ID: 256149
• Molecular Formular: C7H7ClN2O
• Molecular Mass: 170.59628
• Monoisotopic Mass: 170.02469053
• SMILES: c1(c(cc(cc1)Cl)N)C(=O)N
• Canonical SMILES: Clc1ccc(c(c1)N)C(=O)N
• InChI: InChI=1S/C7H7ClN2O/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H2,10,11)
• InChIKey: QNEJYHVIYJFNHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-4-chlorobenzamide
• IUPAC Traditional name: 2-amino-4-chlorobenzamide
• Synonyms: 2-amino-4-chlorobenzamide

Database IDs

• CAS Number: 5900-59-4
• MDL Number: MFCD09042792
• PubChem SID: 164312059
• PubChem CID: 12374837

CALCULATED PROPERTIES

• Acid pKa: 14.694678
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.2488918
• LogD (pH = 7.4): 1.2490034
• Log P: 1.2490048
• Molar Refractivity: 44.6416 cm^3
• Polarizability: 16.221968 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 179 - 181°C
• Hydrophobicity(logP): 1.089

Product Information

• Purity: 95%; 95+%