ChemSpider 2D Image | (2S)-N-(4-Cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide | C18H14IN3O3

(2S)-N-(4-Cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide

  • Molecular FormulaC18H14IN3O3
  • Average mass447.227 Da
  • Monoisotopic mass447.007965 Da
  • ChemSpider ID25057407
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-N-(4-Cyan-3-iodphenyl)-3-(4-cyanphenoxy)-2-hydroxy-2-methylpropanamid [German] [ACD/IUPAC Name]
(2S)-N-(4-Cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide [ACD/IUPAC Name]
(2S)-N-(4-Cyano-3-iodophényl)-3-(4-cyanophénoxy)-2-hydroxy-2-méthylpropanamide [French] [ACD/IUPAC Name]
Propanamide, N-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methyl-, (2S)- [ACD/Index Name]
3B6
S-24

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

Density: 1.7±0.1 g/cm3
Boiling Point: 690.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 371.2±31.5 °C
Index of Refraction: 1.678
Molar Refractivity: 99.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 285.94
ACD/KOC (pH 5.5): 1994.36
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 285.93
ACD/KOC (pH 7.4): 1994.30
Polar Surface Area: 106 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 75.2±5.0 dyne/cm
Molar Volume: 262.9±5.0 cm3

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