5-amino-2-chloro-N-propylbenzamide

• ChemBase ID: 308264
• Molecular Formular: C10H13ClN2O
• Molecular Mass: 212.67602
• Monoisotopic Mass: 212.07164073
• SMILES: c1(C(=O)NCCC)c(ccc(c1)N)Cl
• Canonical SMILES: CCCNC(=O)c1cc(N)ccc1Cl
• InChI: InChI=1S/C10H13ClN2O/c1-2-5-13-10(14)8-6-7(12)3-4-9(8)11/h3-4,6H,2,5,12H2,1H3,(H,13,14)
• InChIKey: DCSZZSIDBDFJRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 926250-78-4
• MDL Number: MFCD09047094

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.7013187
• LogD (pH = 7.4): 1.7020023
• Log P: 1.7020112
• Molar Refractivity: 58.8109 cm^3
• Polarizability: 21.714529 Å^3
• Polar Surface Area: 55.12 Å^2