2-amino-5-chloro-N-(2-methylpropyl)benzamide

• ChemBase ID: 262554
• Molecular Formular: C11H15ClN2O
• Molecular Mass: 226.7026
• Monoisotopic Mass: 226.08729079
• SMILES: c1(C(=O)NCC(C)C)c(ccc(c1)Cl)N
• Canonical SMILES: CC(CNC(=O)c1cc(Cl)ccc1N)C
• InChI: InChI=1S/C11H15ClN2O/c1-7(2)6-14-11(15)9-5-8(12)3-4-10(9)13/h3-5,7H,6,13H2,1-2H3,(H,14,15)
• InChIKey: CHNDMUKQOLOTOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-5-chloro-N-(2-methylpropyl)benzamide
• IUPAC Traditional name: 2-amino-5-chloro-N-(2-methylpropyl)benzamide
• Synonyms: 2-amino-5-chloro-N-(2-methylpropyl)benzamide

Database IDs

• MDL Number: MFCD09050269
• PubChem SID: 164318464
• PubChem CID: 16777801

CALCULATED PROPERTIES

• Acid pKa: 14.934718
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.7167907
• LogD (pH = 7.4): 2.7169816
• Log P: 2.716984
• Molar Refractivity: 63.2825 cm^3
• Polarizability: 23.533873 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 137 - 139°C
• Hydrophobicity(logP): 2.882

Product Information

• Purity: 95%