ChemSpider 2D Image | 4-Bromo-1-isopropyl-N-[3-(isopropylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide | C14H22BrN3O2

4-Bromo-1-isopropyl-N-[3-(isopropylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide

  • Molecular FormulaC14H22BrN3O2
  • Average mass344.247 Da
  • Monoisotopic mass343.089539 Da
  • ChemSpider ID30463047

More details:

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

1H-Pyrrole-2-carboxamide, 4-bromo-1-(1-methylethyl)-N-[3-[(1-methylethyl)amino]-3-oxopropyl]- [ACD/Index Name]
4-Brom-1-isopropyl-N-[3-(isopropylamino)-3-oxopropyl]-1H-pyrrol-2-carboxamid [German] [ACD/IUPAC Name]
4-Bromo-1-isopropyl-N-[3-(isopropylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide [ACD/IUPAC Name]
4-Bromo-1-isopropyl-N-[3-(isopropylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide [French] [ACD/IUPAC Name]
3-[(4-BROMO-1-ISOPROPYLPYRROL-2-YL)FORMAMIDO]-N-ISOPROPYLPROPANAMIDE
3-{[4-BROMO-1-(PROPAN-2-YL)-1H-PYRROL-2-YL]FORMAMIDO}-N-(PROPAN-2-YL)PROPANAMIDE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 526.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 272.2±28.7 °C
Index of Refraction: 1.570
Molar Refractivity: 83.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 34.51
ACD/KOC (pH 5.5): 438.98
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 34.51
ACD/KOC (pH 7.4): 438.98
Polar Surface Area: 63 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 40.3±7.0 dyne/cm
Molar Volume: 253.4±7.0 cm3

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