2-amino-5-chloro-N-methylbenzamide

• ChemBase ID: 257497
• Molecular Formular: C8H9ClN2O
• Molecular Mass: 184.62286
• Monoisotopic Mass: 184.0403406
• SMILES: c1(C(=O)NC)c(ccc(c1)Cl)N
• Canonical SMILES: CNC(=O)c1cc(Cl)ccc1N
• InChI: InChI=1S/C8H9ClN2O/c1-11-8(12)6-4-5(9)2-3-7(6)10/h2-4H,10H2,1H3,(H,11,12)
• InChIKey: SHOFEQJWALLTLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-5-chloro-N-methylbenzamide
• IUPAC Traditional name: 2-amino-5-chloro-N-methylbenzamide
• Synonyms: 2-amino-5-chloro-N-methylbenzamide

Database IDs

• CAS Number: 19178-37-1
• MDL Number: MFCD01666699
• PubChem SID: 164313407
• PubChem CID: 209072

CALCULATED PROPERTIES

• Acid pKa: 14.843683
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.472534
• LogD (pH = 7.4): 1.472679
• Log P: 1.4726809
• Molar Refractivity: 49.5383 cm^3
• Polarizability: 18.035305 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.296

Product Information

• Purity: 95%