ChemSpider 2D Image | N-(3-{[(3-Acetamidopropyl)carbamoyl]amino}propyl)-3,5-bis(trifluoromethyl)benzamide | C18H22F6N4O3

N-(3-{[(3-Acetamidopropyl)carbamoyl]amino}propyl)-3,5-bis(trifluoromethyl)benzamide

  • Molecular FormulaC18H22F6N4O3
  • Average mass456.383 Da
  • Monoisotopic mass456.159607 Da
  • ChemSpider ID59588774

More details:

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

Benzamide, N-[3-[[[[3-(acetylamino)propyl]amino]carbonyl]amino]propyl]-3,5-bis(trifluoromethyl)- [ACD/Index Name]
N-(3-{[(3-Acetamidopropyl)carbamoyl]amino}propyl)-3,5-bis(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
N-(3-{[(3-Acetamidopropyl)carbamoyl]amino}propyl)-3,5-bis(trifluoromethyl)benzamide [ACD/IUPAC Name]
N-(3-{[(3-Acétamidopropyl)carbamoyl]amino}propyl)-3,5-bis(trifluorométhyl)benzamide [French] [ACD/IUPAC 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: 603.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 318.9±31.5 °C
Index of Refraction: 1.471
Molar Refractivity: 97.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 1.80
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 19.49
ACD/KOC (pH 5.5): 291.67
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 19.49
ACD/KOC (pH 7.4): 291.67
Polar Surface Area: 99 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 349.5±3.0 cm3

Click to predict properties on the Chemicalize site


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