ChemSpider 2D Image | N-[(1R,2R)-2-(Carbamimidamidomethyl)-2,3-dihydro-1H-inden-1-yl]-N'-(4-chloro-3-fluorophenyl)ethanediamide | C19H19ClFN5O2

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

  • Molecular FormulaC19H19ClFN5O2
  • Average mass403.838 Da
  • Monoisotopic mass403.121124 Da
  • ChemSpider ID29399179

  • 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]methyl]-2,3-dihydro-1H-inden-1-yl]-N2-(4-chloro-3-fluorophenyl)- [ACD/Index Name]
N-[(1R,2R)-2-(Carbamimidamidomethyl)-2,3-dihydro-1H-inden-1-yl]-N'-(4-chlor-3-fluorphenyl)ethandiamid [German] [ACD/IUPAC Name]
N-[(1R,2R)-2-(Carbamimidamidomethyl)-2,3-dihydro-1H-inden-1-yl]-N'-(4-chloro-3-fluorophenyl)ethanediamide [ACD/IUPAC Name]
N-[(1R,2R)-2-(Carbamimidamidométhyl)-2,3-dihydro-1H-indén-1-yl]-N'-(4-chloro-3-fluorophényl)éthanediamide [French] [ACD/IUPAC Name]
1C1
Amino({[(1r,2r)-1-({[(4-Chloro-3-Fluorophenyl)amino](Oxo)acetyl}amino)-2,3-Dihydro-1h-Inden-2-Yl]methyl}amino)methaniminium

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.686
Molar Refractivity: 101.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.32
ACD/LogD (pH 7.4): 0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.31
Polar Surface Area: 120 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 58.0±7.0 dyne/cm
Molar Volume: 267.2±7.0 cm3

Click to predict properties on the Chemicalize site


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