2-amino-6-chlorobenzamide

• ChemBase ID: 284201
• Molecular Formular: C7H7ClN2O
• Molecular Mass: 170.59628
• Monoisotopic Mass: 170.02469053
• SMILES: c1(C(=O)N)c(N)cccc1Cl
• Canonical SMILES: NC(=O)c1c(N)cccc1Cl
• InChI: InChI=1S/C7H7ClN2O/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,9H2,(H2,10,11)
• InChIKey: RMDBIAFBDRRSOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-6-chlorobenzamide
• IUPAC Traditional name: 2-amino-6-chlorobenzamide
• Synonyms: 2-amino-6-chlorobenzamide

Database IDs

• MDL Number: MFCD00234296
• PubChem SID: 180669732
• PubChem CID: 13675968

CALCULATED PROPERTIES

• Acid pKa: 13.591421
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.2488309
• LogD (pH = 7.4): 1.2490029
• Log P: 1.2490048
• Molar Refractivity: 44.6416 cm^3
• Polarizability: 16.235031 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.379

Product Information

• Purity: 95%