ChemSpider 2D Image | N-(4-{2-[(3-Chloro-4-fluorophenyl)amino]-2-oxoethyl}-2-nitrophenyl)-1-methyl-2-oxo-1,2-dihydro-3-pyridinecarboxamide | C21H16ClFN4O5

N-(4-{2-[(3-Chloro-4-fluorophenyl)amino]-2-oxoethyl}-2-nitrophenyl)-1-methyl-2-oxo-1,2-dihydro-3-pyridinecarboxamide

  • Molecular FormulaC21H16ClFN4O5
  • Average mass458.827 Da
  • Monoisotopic mass458.079315 Da
  • ChemSpider ID66810705

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-Pyridinecarboxamide, N-[4-[2-[(3-chloro-4-fluorophenyl)amino]-2-oxoethyl]-2-nitrophenyl]-1,2-dihydro-1-methyl-2-oxo- [ACD/Index Name]
N-(4-{2-[(3-Chlor-4-fluorphenyl)amino]-2-oxoethyl}-2-nitrophenyl)-1-methyl-2-oxo-1,2-dihydro-3-pyridincarboxamid [German] [ACD/IUPAC Name]
N-(4-{2-[(3-Chloro-4-fluorophenyl)amino]-2-oxoethyl}-2-nitrophenyl)-1-methyl-2-oxo-1,2-dihydro-3-pyridinecarboxamide [ACD/IUPAC Name]
N-(4-{2-[(3-Chloro-4-fluorophényl)amino]-2-oxoéthyl}-2-nitrophényl)-1-méthyl-2-oxo-1,2-dihydro-3-pyridinecarboxamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 790.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.0±3.0 kJ/mol
Flash Point: 431.9±32.9 °C
Index of Refraction: 1.693
Molar Refractivity: 114.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 62.47
ACD/KOC (pH 5.5): 671.39
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 62.45
ACD/KOC (pH 7.4): 671.09
Polar Surface Area: 124 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 74.5±3.0 dyne/cm
Molar Volume: 299.0±3.0 cm3

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