ChemSpider 2D Image | N-{2-[{[1-(2-Chlorobenzyl)-1H-pyrrol-2-yl]methyl}(cyclohexyl)amino]-2-oxoethyl}-3-methoxy-N-(2-methoxyethyl)benzamide | C31H38ClN3O4

N-{2-[{[1-(2-Chlorobenzyl)-1H-pyrrol-2-yl]methyl}(cyclohexyl)amino]-2-oxoethyl}-3-methoxy-N-(2-methoxyethyl)benzamide

  • Molecular FormulaC31H38ClN3O4
  • Average mass552.104 Da
  • Monoisotopic mass551.255066 Da
  • ChemSpider ID2860113

More details:

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

Benzamide, N-[2-[[[1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl]methyl]cyclohexylamino]-2-oxoethyl]-3-methoxy-N-(2-methoxyethyl)- [ACD/Index Name]
N-{2-[{[1-(2-Chlorbenzyl)-1H-pyrrol-2-yl]methyl}(cyclohexyl)amino]-2-oxoethyl}-3-methoxy-N-(2-methoxyethyl)benzamid [German] [ACD/IUPAC Name]
N-{2-[{[1-(2-Chlorobenzyl)-1H-pyrrol-2-yl]methyl}(cyclohexyl)amino]-2-oxoethyl}-3-methoxy-N-(2-methoxyethyl)benzamide [ACD/IUPAC Name]
N-{2-[{[1-(2-Chlorobenzyl)-1H-pyrrol-2-yl]méthyl}(cyclohexyl)amino]-2-oxoéthyl}-3-méthoxy-N-(2-méthoxyéthyl)benzamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 725.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 392.7±32.9 °C
Index of Refraction: 1.586
Molar Refractivity: 155.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 5.57
ACD/BCF (pH 5.5): 10023.95
ACD/KOC (pH 5.5): 25440.92
ACD/LogD (pH 7.4): 5.57
ACD/BCF (pH 7.4): 10023.95
ACD/KOC (pH 7.4): 25440.92
Polar Surface Area: 64 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 44.3±7.0 dyne/cm
Molar Volume: 464.3±7.0 cm3

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