ChemSpider 2D Image | N-[2-(2-Chloro-6-fluorophenyl)-2-(1-pyrrolidinyl)ethyl]-N~2~-(3-isobutoxybenzoyl)norleucinamide | C29H39ClFN3O3

N-[2-(2-Chloro-6-fluorophenyl)-2-(1-pyrrolidinyl)ethyl]-N2-(3-isobutoxybenzoyl)norleucinamide

  • Molecular FormulaC29H39ClFN3O3
  • Average mass532.090 Da
  • Monoisotopic mass531.266418 Da
  • ChemSpider ID121086416

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]pentyl]-3-(2-methylpropoxy)- [ACD/Index Name]
N-[2-(2-Chlor-6-fluorphenyl)-2-(1-pyrrolidinyl)ethyl]-N2-(3-isobutoxybenzoyl)norleucinamid [German] [ACD/IUPAC Name]
N-[2-(2-Chloro-6-fluorophenyl)-2-(1-pyrrolidinyl)ethyl]-N2-(3-isobutoxybenzoyl)norleucinamide [ACD/IUPAC Name]
N-[2-(2-Chloro-6-fluorophényl)-2-(1-pyrrolidinyl)éthyl]-N2-(3-isobutoxybenzoyl)norleucinamide [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: 679.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 364.7±31.5 °C
Index of Refraction: 1.553
Molar Refractivity: 145.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 21.36
ACD/KOC (pH 5.5): 91.07
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 808.65
ACD/KOC (pH 7.4): 3447.69
Polar Surface Area: 71 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 455.5±3.0 cm3

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