ChemSpider 2D Image | 4-{4-[3-(2-Bromo-5-fluorophenoxy)propyl]phenyl}-N-(2-chlorobenzyl)-N-cyclopropyl-1,2,5,6-tetrahydro-3-pyridinecarboxamide | C31H31BrClFN2O2

4-{4-[3-(2-Bromo-5-fluorophenoxy)propyl]phenyl}-N-(2-chlorobenzyl)-N-cyclopropyl-1,2,5,6-tetrahydro-3-pyridinecarboxamide

  • Molecular FormulaC31H31BrClFN2O2
  • Average mass597.945 Da
  • Monoisotopic mass596.124146 Da
  • ChemSpider ID8523986

More details:

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

3-Pyridinecarboxamide, 4-[4-[3-(2-bromo-5-fluorophenoxy)propyl]phenyl]-N-[(2-chlorophenyl)methyl]-N-cyclopropyl-1,2,5,6-tetrahydro- [ACD/Index Name]
4-{4-[3-(2-Brom-5-fluorphenoxy)propyl]phenyl}-N-(2-chlorbenzyl)-N-cyclopropyl-1,2,5,6-tetrahydro-3-pyridincarboxamid [German] [ACD/IUPAC Name]
4-{4-[3-(2-Bromo-5-fluorophenoxy)propyl]phenyl}-N-(2-chlorobenzyl)-N-cyclopropyl-1,2,5,6-tetrahydro-3-pyridinecarboxamide [ACD/IUPAC Name]
4-{4-[3-(2-Bromo-5-fluorophénoxy)propyl]phényl}-N-(2-chlorobenzyl)-N-cyclopropyl-1,2,5,6-tétrahydro-3-pyridinecarboxamide [French] [ACD/IUPAC Name]
4-{4-[3-(2-bromo-5-fluorophenoxy)propyl]phenyl}-N-(2-chlorobenzyl)-N-cyclopropyl-1,2,5,6-tetrahydropyridine-3-carboxamide
4-(4-(3-(2-bromo-5-fluorophenoxy)propyl)phenyl)-N-(2-chlorobenzyl)-N-cyclopropyl-1,2,5,6-tetrahydropyridine-3-carboxamide
BFX

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

Density: 1.4±0.1 g/cm3
Boiling Point: 722.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.6±3.0 kJ/mol
Flash Point: 390.9±32.9 °C
Index of Refraction: 1.651
Molar Refractivity: 153.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.98
ACD/LogD (pH 5.5): 5.91
ACD/BCF (pH 5.5): 10727.11
ACD/KOC (pH 5.5): 14074.88
ACD/LogD (pH 7.4): 6.85
ACD/BCF (pH 7.4): 92185.99
ACD/KOC (pH 7.4): 120955.84
Polar Surface Area: 42 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 58.7±5.0 dyne/cm
Molar Volume: 421.0±5.0 cm3

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