ChemSpider 2D Image | 3-(Carbamoylamino)-N-{1-[1-(difluoromethyl)-1H-benzimidazol-2-yl]ethyl}-3-(2-methylphenyl)propanamide | C21H23F2N5O2

3-(Carbamoylamino)-N-{1-[1-(difluoromethyl)-1H-benzimidazol-2-yl]ethyl}-3-(2-methylphenyl)propanamide

  • Molecular FormulaC21H23F2N5O2
  • Average mass415.436 Da
  • Monoisotopic mass415.181976 Da
  • ChemSpider ID22428392

More details:






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

3-(Carbamoylamino)-N-{1-[1-(difluormethyl)-1H-benzimidazol-2-yl]ethyl}-3-(2-methylphenyl)propanamid [German] [ACD/IUPAC Name]
3-(Carbamoylamino)-N-{1-[1-(difluoromethyl)-1H-benzimidazol-2-yl]ethyl}-3-(2-methylphenyl)propanamide [ACD/IUPAC Name]
3-(Carbamoylamino)-N-{1-[1-(difluorométhyl)-1H-benzimidazol-2-yl]éthyl}-3-(2-méthylphényl)propanamide [French] [ACD/IUPAC Name]
Benzenepropanamide, β-[(aminocarbonyl)amino]-N-[1-[1-(difluoromethyl)-1H-benzimidazol-2-yl]ethyl]-2-methyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 652.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 348.3±31.5 °C
Index of Refraction: 1.624
Molar Refractivity: 107.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 62.26
ACD/KOC (pH 5.5): 669.56
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 62.30
ACD/KOC (pH 7.4): 670.04
Polar Surface Area: 102 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 46.7±7.0 dyne/cm
Molar Volume: 305.2±7.0 cm3

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