4-chloro-3-nitro-N,N-dipropylbenzamide

• ChemBase ID: 300559
• Molecular Formular: C13H17ClN2O3
• Molecular Mass: 284.73868
• Monoisotopic Mass: 284.09277009
• SMILES: CCCN(CCC)C(=O)c1ccc(c(c1)[N+](=O)[O-])Cl
• Canonical SMILES: CCCN(C(=O)c1ccc(c(c1)[N+](=O)[O-])Cl)CCC
• InChI: InChI=1S/C13H17ClN2O3/c1-3-7-15(8-4-2)13(17)10-5-6-11(14)12(9-10)16(18)19/h5-6,9H,3-4,7-8H2,1-2H3
• InChIKey: SOMWQSYOZNTFMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-3-nitro-N,N-dipropylbenzamide
• IUPAC Traditional name: 4-chloro-3-nitro-N,N-dipropylbenzamide
• Synonyms: 4-Chloro-3-nitro-N,N-di-n-propylbenzamide

Database IDs

• MDL Number: MFCD01213036

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.5739276
• LogD (pH = 7.4): 3.5739279
• Log P: 3.5739279
• Molar Refractivity: 75.6045 cm^3
• Polarizability: 28.038603 Å^3
• Polar Surface Area: 66.13 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%