5-chloro-2-(methylamino)benzamide

• ChemBase ID: 54970
• Molecular Formular: C8H9ClN2O
• Molecular Mass: 184.62286
• Monoisotopic Mass: 184.0403406
• SMILES: c1(c(ccc(c1)Cl)NC)C(=O)N
• Canonical SMILES: CNc1ccc(cc1C(=O)N)Cl
• InChI: InChI=1S/C8H9ClN2O/c1-11-7-3-2-5(9)4-6(7)8(10)12/h2-4,11H,1H3,(H2,10,12)
• InChIKey: ZUYIIDOKGIRIKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-(methylamino)benzamide
• IUPAC Traditional name: 5-chloro-2-(methylamino)benzamide
• Synonyms: 5-Chloro-2-(methylamino)benzamide

Database IDs

• CAS Number: 31823-19-5
• MDL Number: MFCD00031470
• PubChem SID: 162059733
• PubChem CID: 97387

CALCULATED PROPERTIES

• Acid pKa: 14.441227
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.550285
• LogD (pH = 7.4): 1.5507036
• Log P: 1.5507089
• Molar Refractivity: 50.135 cm^3
• Polarizability: 18.035006 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%