ChemSpider 2D Image | 3-({[1-(4-Fluorophenyl)ethyl](3-quinolinylcarbonyl)amino}methyl)benzoic acid | C26H21FN2O3

3-({[1-(4-Fluorophenyl)ethyl](3-quinolinylcarbonyl)amino}methyl)benzoic acid

  • Molecular FormulaC26H21FN2O3
  • Average mass428.455 Da
  • Monoisotopic mass428.153625 Da
  • ChemSpider ID72388648

More details:

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

3-({(3-Chinolinylcarbonyl)[1-(4-fluorphenyl)ethyl]amino}methyl)benzoesäure [German] [ACD/IUPAC Name]
3-({[1-(4-Fluorophenyl)ethyl](3-quinolinylcarbonyl)amino}methyl)benzoic acid [ACD/IUPAC Name]
Acide 3-({[1-(4-fluorophényl)éthyl](3-quinoléinylcarbonyl)amino}méthyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[[1-(4-fluorophenyl)ethyl](3-quinolinylcarbonyl)amino]methyl]- [ACD/Index Name]
1398583-31-7 [RN]
3-({N-[1-(4-fluorophenyl)ethyl]-1-(quinolin-3-yl)formamido}methyl)benzoic acid
3-({N-[1-(4-fluorophenyl)ethyl]-1-quinolin-3-ylformamido}methyl)benzoic acid
PF 05105679

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

Density: 1.3±0.1 g/cm3
Boiling Point: 669.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 358.4±31.5 °C
Index of Refraction: 1.661
Molar Refractivity: 121.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 58.02
ACD/KOC (pH 5.5): 258.82
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 1.73
ACD/KOC (pH 7.4): 7.73
Polar Surface Area: 71 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 59.1±3.0 dyne/cm
Molar Volume: 327.5±3.0 cm3

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