ChemSpider 2D Image | 2-Amino-N-(2-{[(1S)-2-[(2,4-dimethylbenzyl)amino]-1-(1-hydroxycyclopentyl)ethyl]amino}-2-oxoethyl)-5-(trifluoromethyl)benzamide | C26H33F3N4O3

2-Amino-N-(2-{[(1S)-2-[(2,4-dimethylbenzyl)amino]-1-(1-hydroxycyclopentyl)ethyl]amino}-2-oxoethyl)-5-(trifluoromethyl)benzamide

  • Molecular FormulaC26H33F3N4O3
  • Average mass506.560 Da
  • Monoisotopic mass506.250488 Da
  • ChemSpider ID8383039

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Amino-N-(2-{[(1S)-2-[(2,4-dimethylbenzyl)amino]-1-(1-hydroxycyclopentyl)ethyl]amino}-2-oxoethyl)-5-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
2-Amino-N-(2-{[(1S)-2-[(2,4-dimethylbenzyl)amino]-1-(1-hydroxycyclopentyl)ethyl]amino}-2-oxoethyl)-5-(trifluoromethyl)benzamide [ACD/IUPAC Name]
2-Amino-N-(2-{[(1S)-2-[(2,4-diméthylbenzyl)amino]-1-(1-hydroxycyclopentyl)éthyl]amino}-2-oxoéthyl)-5-(trifluorométhyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 2-amino-N-[2-[[(1S)-2-[[(2,4-dimethylphenyl)methyl]amino]-1-(1-hydroxycyclopentyl)ethyl]amino]-2-oxoethyl]-5-(trifluoromethyl)- [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: 700.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.7±3.0 kJ/mol
Flash Point: 377.6±32.9 °C
Index of Refraction: 1.575
Molar Refractivity: 131.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 1.28
ACD/KOC (pH 5.5): 7.58
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 61.73
ACD/KOC (pH 7.4): 364.51
Polar Surface Area: 116 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 397.8±3.0 cm3

Click to predict properties on the Chemicalize site


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