ChemSpider 2D Image | 4-Cyano-N-{3-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]propyl}benzamide | C24H21FN2O3S

4-Cyano-N-{3-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]propyl}benzamide

  • Molecular FormulaC24H21FN2O3S
  • Average mass436.499 Da
  • Monoisotopic mass436.125702 Da
  • ChemSpider ID24628525

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-Cyan-N-{3-(4-fluorphenyl)-3-[4-(methylsulfonyl)phenyl]propyl}benzamid [German] [ACD/IUPAC Name]
4-Cyano-N-{3-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]propyl}benzamide [ACD/IUPAC Name]
4-Cyano-N-{3-(4-fluorophényl)-3-[4-(méthylsulfonyl)phényl]propyl}benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-cyano-N-[3-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]propyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 689.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 370.7±31.5 °C
Index of Refraction: 1.626
Molar Refractivity: 116.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 3.09
ACD/BCF (pH 5.5): 130.52
ACD/KOC (pH 5.5): 1137.63
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 130.52
ACD/KOC (pH 7.4): 1137.63
Polar Surface Area: 95 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 60.0±5.0 dyne/cm
Molar Volume: 329.1±5.0 cm3

Click to predict properties on the Chemicalize site


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