ChemSpider 2D Image | 4-Chloro-N-[(1E)-3-oxo-3-(1-piperidinyl)-1-{5-[3-(trifluoromethyl)phenyl]-2-furyl}-1-propen-2-yl]benzamide | C26H22ClF3N2O3

4-Chloro-N-[(1E)-3-oxo-3-(1-piperidinyl)-1-{5-[3-(trifluoromethyl)phenyl]-2-furyl}-1-propen-2-yl]benzamide

  • Molecular FormulaC26H22ClF3N2O3
  • Average mass502.913 Da
  • Monoisotopic mass502.127106 Da
  • ChemSpider ID21817235

  • Double-bond stereo - Double-bond stereo

More details:

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

4-Chlor-N-[(1E)-3-oxo-3-(1-piperidinyl)-1-{5-[3-(trifluormethyl)phenyl]-2-furyl}-1-propen-2-yl]benzamid [German] [ACD/IUPAC Name]
4-Chloro-N-[(1E)-3-oxo-3-(1-piperidinyl)-1-{5-[3-(trifluoromethyl)phenyl]-2-furyl}-1-propen-2-yl]benzamide [ACD/IUPAC Name]
4-Chloro-N-[(1E)-3-oxo-3-(1-pipéridinyl)-1-{5-[3-(trifluorométhyl)phényl]-2-furyl}-1-propén-2-yl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-chloro-N-[(E)-1-(1-piperidinylcarbonyl)-2-[5-[3-(trifluoromethyl)phenyl]-2-furanyl]ethenyl]- [ACD/Index Name]
4-Chloro-N-{1-(piperidine-1-carbonyl)-2-[5-(3-trifluoromethyl-phenyl)-furan-2-yl]-vinyl}-benzamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 703.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.0±3.0 kJ/mol
Flash Point: 379.3±32.9 °C
Index of Refraction: 1.588
Molar Refractivity: 126.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.15
ACD/LogD (pH 5.5): 5.31
ACD/BCF (pH 5.5): 6431.97
ACD/KOC (pH 5.5): 18518.15
ACD/LogD (pH 7.4): 5.31
ACD/BCF (pH 7.4): 6403.75
ACD/KOC (pH 7.4): 18436.88
Polar Surface Area: 63 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 375.7±3.0 cm3

Click to predict properties on the Chemicalize site


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