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Search term: MF = 'C_{29}H_{36}ClN_{3}O_{3}'
ChemSpider 2D Image | N-{2-[{[1-(2-Chlorobenzyl)-1H-pyrrol-2-yl]methyl}(isobutyl)amino]-2-oxoethyl}-N-(2-methoxyethyl)-4-methylbenzamide | C29H36ClN3O3

N-{2-[{[1-(2-Chlorobenzyl)-1H-pyrrol-2-yl]methyl}(isobutyl)amino]-2-oxoethyl}-N-(2-methoxyethyl)-4-methylbenzamide

  • Molecular FormulaC29H36ClN3O3
  • Average mass510.067 Da
  • Monoisotopic mass509.244507 Da
  • ChemSpider ID2661534

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](2-methylpropyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methyl- [ACD/Index Name]
N-{2-[{[1-(2-Chlorbenzyl)-1H-pyrrol-2-yl]methyl}(isobutyl)amino]-2-oxoethyl}-N-(2-methoxyethyl)-4-methylbenzamid [German] [ACD/IUPAC Name]
N-{2-[{[1-(2-Chlorobenzyl)-1H-pyrrol-2-yl]methyl}(isobutyl)amino]-2-oxoethyl}-N-(2-methoxyethyl)-4-methylbenzamide [ACD/IUPAC Name]
N-{2-[{[1-(2-Chlorobenzyl)-1H-pyrrol-2-yl]méthyl}(isobutyl)amino]-2-oxoéthyl}-N-(2-méthoxyéthyl)-4-méthylbenzamide [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 671.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 359.7±31.5 °C
Index of Refraction: 1.565
Molar Refractivity: 147.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 4.71
ACD/BCF (pH 5.5): 2232.92
ACD/KOC (pH 5.5): 8683.98
ACD/LogD (pH 7.4): 4.71
ACD/BCF (pH 7.4): 2232.92
ACD/KOC (pH 7.4): 8683.98
Polar Surface Area: 55 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 40.4±7.0 dyne/cm
Molar Volume: 452.6±7.0 cm3

Click to predict properties on the Chemicalize site


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