ChemSpider 2D Image | N-(3-{2-[(3-Chloro-4-fluorophenyl)amino]-2-oxoethoxy}-2-pyridinyl)-2-methyl-3-nitrobenzamide | C21H16ClFN4O5

N-(3-{2-[(3-Chloro-4-fluorophenyl)amino]-2-oxoethoxy}-2-pyridinyl)-2-methyl-3-nitrobenzamide

  • Molecular FormulaC21H16ClFN4O5
  • Average mass458.827 Da
  • Monoisotopic mass458.079315 Da
  • ChemSpider ID66201014

More details:

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

Benzamide, N-[3-[2-[(3-chloro-4-fluorophenyl)amino]-2-oxoethoxy]-2-pyridinyl]-2-methyl-3-nitro- [ACD/Index Name]
N-(3-{2-[(3-Chlor-4-fluorphenyl)amino]-2-oxoethoxy}-2-pyridinyl)-2-methyl-3-nitrobenzamid [German] [ACD/IUPAC Name]
N-(3-{2-[(3-Chloro-4-fluorophenyl)amino]-2-oxoethoxy}-2-pyridinyl)-2-methyl-3-nitrobenzamide [ACD/IUPAC Name]
N-(3-{2-[(3-Chloro-4-fluorophényl)amino]-2-oxoéthoxy}-2-pyridinyl)-2-méthyl-3-nitrobenzamide [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: 632.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 336.4±31.5 °C
Index of Refraction: 1.677
Molar Refractivity: 115.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 650.04
ACD/KOC (pH 5.5): 3589.81
ACD/LogD (pH 7.4): 4.00
ACD/BCF (pH 7.4): 649.48
ACD/KOC (pH 7.4): 3586.70
Polar Surface Area: 126 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 65.1±3.0 dyne/cm
Molar Volume: 307.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement