ChemSpider 2D Image | N-(2-Bromo-5-fluorobenzyl)-Nalpha-isobutyryltryptophanamide | C22H23BrFN3O2

N-(2-Bromo-5-fluorobenzyl)-Nα-isobutyryltryptophanamide

  • Molecular FormulaC22H23BrFN3O2
  • Average mass460.339 Da
  • Monoisotopic mass459.095764 Da
  • ChemSpider ID69799146

More details:






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

1H-Indole-3-propanamide, N-[(2-bromo-5-fluorophenyl)methyl]-α-[(2-methyl-1-oxopropyl)amino]- [ACD/Index Name]
N-(2-Brom-5-fluorbenzyl)-Nα-isobutyryltryptophanamid [German] [ACD/IUPAC Name]
N-(2-Bromo-5-fluorobenzyl)-Nα-isobutyryltryptophanamide [ACD/IUPAC Name]
N-(2-Bromo-5-fluorobenzyl)-Nα-isobutyryltryptophaneamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 735.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.3±3.0 kJ/mol
Flash Point: 398.6±32.9 °C
Index of Refraction: 1.621
Molar Refractivity: 115.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 293.39
ACD/KOC (pH 5.5): 2031.44
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 293.39
ACD/KOC (pH 7.4): 2031.44
Polar Surface Area: 74 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 327.5±3.0 cm3

Click to predict properties on the Chemicalize site






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