ChemSpider 2D Image | 4-Butyl-N-(2-chloro-5-{[(2E)-3-(3-fluorophenyl)-2-propenoyl]amino}phenyl)cyclohexanecarboxamide | C26H30ClFN2O2

4-Butyl-N-(2-chloro-5-{[(2E)-3-(3-fluorophenyl)-2-propenoyl]amino}phenyl)cyclohexanecarboxamide

  • Molecular FormulaC26H30ClFN2O2
  • Average mass456.980 Da
  • Monoisotopic mass456.197998 Da
  • ChemSpider ID112451203

  • Double-bond stereo - Double-bond stereo

More details:

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

4-Butyl-N-(2-chlor-5-{[(2E)-3-(3-fluorphenyl)-2-propenoyl]amino}phenyl)cyclohexancarboxamid [German] [ACD/IUPAC Name]
4-Butyl-N-(2-chloro-5-{[(2E)-3-(3-fluorophenyl)-2-propenoyl]amino}phenyl)cyclohexanecarboxamide [ACD/IUPAC Name]
4-Butyl-N-(2-chloro-5-{[(2E)-3-(3-fluorophényl)-2-propenoyl]amino}phényl)cyclohexanecarboxamide [French] [ACD/IUPAC Name]
Cyclohexanecarboxamide, 4-butyl-N-[2-chloro-5-[[(2E)-3-(3-fluorophenyl)-1-oxo-2-propen-1-yl]amino]phenyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 651.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 348.0±31.5 °C
Index of Refraction: 1.613
Molar Refractivity: 130.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 8.01
ACD/LogD (pH 5.5): 6.26
ACD/BCF (pH 5.5): 33867.02
ACD/KOC (pH 5.5): 60813.22
ACD/LogD (pH 7.4): 6.26
ACD/BCF (pH 7.4): 33865.87
ACD/KOC (pH 7.4): 60811.15
Polar Surface Area: 58 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 373.7±3.0 cm3

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