ChemSpider 2D Image | N-[3,5-Bis(trifluoromethyl)phenyl]-2-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}benzamide | C21H18F6N2O2S

N-[3,5-Bis(trifluoromethyl)phenyl]-2-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}benzamide

  • Molecular FormulaC21H18F6N2O2S
  • Average mass476.435 Da
  • Monoisotopic mass476.099304 Da
  • ChemSpider ID78470797

More details:

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

Benzamide, N-[3,5-bis(trifluoromethyl)phenyl]-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]- [ACD/Index Name]
N-[3,5-Bis(trifluormethyl)phenyl]-2-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}benzamid [German] [ACD/IUPAC Name]
N-[3,5-Bis(trifluoromethyl)phenyl]-2-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}benzamide [ACD/IUPAC Name]
N-[3,5-Bis(trifluorométhyl)phényl]-2-{[2-oxo-2-(1-pyrrolidinyl)éthyl]sulfanyl}benzamide [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: 454.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.4±3.0 kJ/mol
Flash Point: 228.7±28.7 °C
Index of Refraction: 1.567
Molar Refractivity: 107.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.94
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 2884.61
ACD/KOC (pH 5.5): 10430.99
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2884.52
ACD/KOC (pH 7.4): 10430.69
Polar Surface Area: 75 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 329.3±5.0 cm3

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