ChemSpider 2D Image | N-(4-Cyanobenzyl)-N-(3-fluorobenzyl)-5-oxo-1-(2,2,2-trifluoroethyl)-3-pyrrolidinecarboxamide | C22H19F4N3O2

N-(4-Cyanobenzyl)-N-(3-fluorobenzyl)-5-oxo-1-(2,2,2-trifluoroethyl)-3-pyrrolidinecarboxamide

  • Molecular FormulaC22H19F4N3O2
  • Average mass433.399 Da
  • Monoisotopic mass433.141327 Da
  • ChemSpider ID31754221

More details:

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

3-Pyrrolidinecarboxamide, N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)- [ACD/Index Name]
N-(4-Cyanbenzyl)-N-(3-fluorbenzyl)-5-oxo-1-(2,2,2-trifluorethyl)-3-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
N-(4-Cyanobenzyl)-N-(3-fluorobenzyl)-5-oxo-1-(2,2,2-trifluoroethyl)-3-pyrrolidinecarboxamide [ACD/IUPAC Name]
N-(4-Cyanobenzyl)-N-(3-fluorobenzyl)-5-oxo-1-(2,2,2-trifluoroéthyl)-3-pyrrolidinecarboxamide [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: 603.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 318.5±31.5 °C
Index of Refraction: 1.576
Molar Refractivity: 104.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 82.31
ACD/KOC (pH 5.5): 817.88
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 82.31
ACD/KOC (pH 7.4): 817.88
Polar Surface Area: 64 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 314.8±5.0 cm3

Click to predict properties on the Chemicalize site


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