ChemSpider 2D Image | N-Benzyl-N-{2-[(4-chloro-2-fluorophenyl)amino]-2-oxo-1-(2-pyridinyl)ethyl}-4-nitrobenzamide | C27H20ClFN4O4

N-Benzyl-N-{2-[(4-chloro-2-fluorophenyl)amino]-2-oxo-1-(2-pyridinyl)ethyl}-4-nitrobenzamide

  • Molecular FormulaC27H20ClFN4O4
  • Average mass518.924 Da
  • Monoisotopic mass518.115723 Da
  • ChemSpider ID114912017

More details:

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

2-Pyridineacetamide, N-(4-chloro-2-fluorophenyl)-α-[(4-nitrobenzoyl)(phenylmethyl)amino]- [ACD/Index Name]
N-Benzyl-N-{2-[(4-chlor-2-fluorphenyl)amino]-2-oxo-1-(2-pyridinyl)ethyl}-4-nitrobenzamid [German] [ACD/IUPAC Name]
N-Benzyl-N-{2-[(4-chloro-2-fluorophenyl)amino]-2-oxo-1-(2-pyridinyl)ethyl}-4-nitrobenzamide [ACD/IUPAC Name]
N-Benzyl-N-{2-[(4-chloro-2-fluorophényl)amino]-2-oxo-1-(2-pyridinyl)éthyl}-4-nitrobenzamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 762.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.1±3.0 kJ/mol
Flash Point: 415.0±32.9 °C
Index of Refraction: 1.673
Molar Refractivity: 137.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 4.44
ACD/BCF (pH 5.5): 1397.35
ACD/KOC (pH 5.5): 6205.47
ACD/LogD (pH 7.4): 4.44
ACD/BCF (pH 7.4): 1398.76
ACD/KOC (pH 7.4): 6211.76
Polar Surface Area: 108 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 63.6±3.0 dyne/cm
Molar Volume: 365.6±3.0 cm3

Click to predict properties on the Chemicalize site


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