ChemSpider 2D Image | N-(1-{[2-(2-Chloro-6-fluorophenyl)-2-(1-pyrrolidinyl)ethyl]amino}-1-oxo-2-butanyl)-3,4,5-triethoxybenzamide | C29H39ClFN3O5

N-(1-{[2-(2-Chloro-6-fluorophenyl)-2-(1-pyrrolidinyl)ethyl]amino}-1-oxo-2-butanyl)-3,4,5-triethoxybenzamide

  • Molecular FormulaC29H39ClFN3O5
  • Average mass564.089 Da
  • Monoisotopic mass563.256226 Da
  • ChemSpider ID121032874

More details:

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

Benzamide, N-[1-[[[2-(2-chloro-6-fluorophenyl)-2-(1-pyrrolidinyl)ethyl]amino]carbonyl]propyl]-3,4,5-triethoxy- [ACD/Index Name]
N-(1-{[2-(2-Chlor-6-fluorphenyl)-2-(1-pyrrolidinyl)ethyl]amino}-1-oxo-2-butanyl)-3,4,5-triethoxybenzamid [German] [ACD/IUPAC Name]
N-(1-{[2-(2-Chloro-6-fluorophenyl)-2-(1-pyrrolidinyl)ethyl]amino}-1-oxo-2-butanyl)-3,4,5-triethoxybenzamide [ACD/IUPAC Name]
N-(1-{[2-(2-Chloro-6-fluorophényl)-2-(1-pyrrolidinyl)éthyl]amino}-1-oxo-2-butanyl)-3,4,5-triéthoxybenzamide [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: 666.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 356.6±31.5 °C
Index of Refraction: 1.551
Molar Refractivity: 149.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 7.39
ACD/KOC (pH 5.5): 42.68
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 278.72
ACD/KOC (pH 7.4): 1610.23
Polar Surface Area: 89 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 470.1±3.0 cm3

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