ChemSpider 2D Image | (3R,5S)-N-(4-Iodophenyl)-1-adamantanecarboxamide | C17H20INO

(3R,5S)-N-(4-Iodophenyl)-1-adamantanecarboxamide

  • Molecular FormulaC17H20INO
  • Average mass381.251 Da
  • Monoisotopic mass381.058960 Da
  • ChemSpider ID57280684

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3R,5S)-N-(4-Iodophenyl)-1-adamantanecarboxamide [ACD/IUPAC Name]
(3R,5S)-N-(4-Iodophényl)-1-adamantanecarboxamide [French] [ACD/IUPAC Name]
(3R,5S)-N-(4-Iodphenyl)-1-adamantancarboxamid [German] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-carboxamide, N-(4-iodophenyl)-, (3R,5S)- [ACD/Index Name]
N-(4-Iodophenyl)adamantane-1-carboxamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 493.1±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.0±3.0 kJ/mol
Flash Point: 252.0±24.0 °C
Index of Refraction: 1.680
Molar Refractivity: 88.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.60
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 2666.14
ACD/KOC (pH 5.5): 9859.21
ACD/LogD (pH 7.4): 4.81
ACD/BCF (pH 7.4): 2666.14
ACD/KOC (pH 7.4): 9859.22
Polar Surface Area: 29 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 59.9±3.0 dyne/cm
Molar Volume: 234.9±3.0 cm3

Click to predict properties on the Chemicalize site


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