5-amino-2-chloro-N-ethylbenzamide

• ChemBase ID: 308081
• Molecular Formular: C9H11ClN2O
• Molecular Mass: 198.64944
• Monoisotopic Mass: 198.05599066
• SMILES: c1(C(=O)NCC)c(ccc(c1)N)Cl
• Canonical SMILES: CCNC(=O)c1cc(N)ccc1Cl
• InChI: InChI=1S/C9H11ClN2O/c1-2-12-9(13)7-5-6(11)3-4-8(7)10/h3-5H,2,11H2,1H3,(H,12,13)
• InChIKey: FVBIMAUMSWHXCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 150108-52-4
• MDL Number: MFCD09045059

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.178858
• LogD (pH = 7.4): 1.1794807
• Log P: 1.1794889
• Molar Refractivity: 54.2869 cm^3
• Polarizability: 19.8814 Å^3
• Polar Surface Area: 55.12 Å^2