4-chloro-N-methyl-3-nitro-N-phenylbenzamide

• ChemBase ID: 300675
• Molecular Formular: C14H11ClN2O3
• Molecular Mass: 290.70174
• Monoisotopic Mass: 290.0458199
• SMILES: Clc1c(cc(C(=O)N(c2ccccc2)C)cc1)[N+](=O)[O-]
• Canonical SMILES: O=C(N(c1ccccc1)C)c1ccc(c(c1)[N+](=O)[O-])Cl
• InChI: InChI=1S/C14H11ClN2O3/c1-16(11-5-3-2-4-6-11)14(18)10-7-8-12(15)13(9-10)17(19)20/h2-9H,1H3
• InChIKey: WSRQXHGTRLMDTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-N-methyl-3-nitro-N-phenylbenzamide
• IUPAC Traditional name: 4-chloro-N-methyl-3-nitro-N-phenylbenzamide
• Synonyms: 4-Chloro-N-methyl-3-nitro-N-phenylbenzamide

Database IDs

• MDL Number: MFCD01212445

CALCULATED PROPERTIES

• Log P: 3.4732256
• Molar Refractivity: 75.8327 cm^3
• Polarizability: 28.582157 Å^3
• Polar Surface Area: 63.45 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.4732256
• LogD (pH = 7.4): 3.4732256

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%