ChemSpider 2D Image | N-[(1R,2R)-2-Carbamimidamido-2,3-dihydro-1H-inden-1-yl]-N'-(4-chloro-3-fluorophenyl)ethanediamide | C18H17ClFN5O2

N-[(1R,2R)-2-Carbamimidamido-2,3-dihydro-1H-inden-1-yl]-N'-(4-chloro-3-fluorophenyl)ethanediamide

  • Molecular FormulaC18H17ClFN5O2
  • Average mass389.811 Da
  • Monoisotopic mass389.105469 Da
  • ChemSpider ID28651868

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Ethanediamide, N1-[(1R,2R)-2-[(aminoiminomethyl)amino]-2,3-dihydro-1H-inden-1-yl]-N2-(4-chloro-3-fluorophenyl)- [ACD/Index Name]
N-[(1R,2R)-2-Carbamimidamido-2,3-dihydro-1H-inden-1-yl]-N'-(4-chlor-3-fluorphenyl)ethandiamid [German] [ACD/IUPAC Name]
N-[(1R,2R)-2-Carbamimidamido-2,3-dihydro-1H-inden-1-yl]-N'-(4-chloro-3-fluorophenyl)ethanediamide [ACD/IUPAC Name]
N-[(1R,2R)-2-Carbamimidamido-2,3-dihydro-1H-indén-1-yl]-N'-(4-chloro-3-fluorophényl)éthanediamide [French] [ACD/IUPAC Name]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.699
Molar Refractivity: 97.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.23
ACD/LogD (pH 5.5): -0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.60
ACD/LogD (pH 7.4): -0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.60
Polar Surface Area: 120 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 59.9±7.0 dyne/cm
Molar Volume: 251.2±7.0 cm3

Click to predict properties on the Chemicalize site


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