2-amino-5-chloro-N,N-dimethylbenzamide

• ChemBase ID: 308860
• Molecular Formular: C9H11ClN2O
• Molecular Mass: 198.64944
• Monoisotopic Mass: 198.05599066
• SMILES: c1(C(=O)N(C)C)c(ccc(c1)Cl)N
• Canonical SMILES: CN(C(=O)c1cc(Cl)ccc1N)C
• InChI: InChI=1S/C9H11ClN2O/c1-12(2)9(13)7-5-6(10)3-4-8(7)11/h3-5H,11H2,1-2H3
• InChIKey: KXTKTZUWGKFUIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 56042-83-2
• MDL Number: MFCD09736527

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6962008
• LogD (pH = 7.4): 1.696355
• Log P: 1.696357
• Molar Refractivity: 54.435 cm^3
• Polarizability: 19.865818 Å^3
• Polar Surface Area: 46.33 Å^2