3-[(2,4-Dichlorobenzoyl)(Isopropyl)Amino]-5-Phenyl-2-Thiophenecarboxylic Acid

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Properties Simple | Detailed

Formula C21H17Cl2NO3S
IUPAC Name 3-[(2,4-dichlorobenzoyl)-isopropyl-amino]-5-phenyl-thiophene-2-carboxylic acid
Molecular Mass 434.336 g·mol−1
Heat of Formation -381.0 ± 16.7 kJ·mol−1
Dipole Moment 4.13 ± 1.08 D
Volume 473.26 Å 3
Surface Area 364.11 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 1.75 ± eV
Point Group Symmetry C1
Synonyms
  • 2-thiophenecarboxylic acid, 3-[(2,4-dichlorobenzoyl)(1-methylethyl)amino]-5-phenyl-
  • 3-[(2,4-dichlorobenzoyl)(isopropyl)amino]-5-phenylthiophene-2-carboxylic acid
  • 3-[(2,4-dichlorobenzoyl)-isopropyl-amino]-5-phenyl-2-thenoic acid
  • 3-[(2,4-dichlorobenzoyl)-propan-2-ylamino]-5-phenylthiophene-2-carboxylic acid
  • 3-[(2,4-dichlorophenyl)carbonyl-propan-2-yl-amino]-5-phenyl-thiophene-2-carboxylic acid
  • 3-[[(2,4-dichlorophenyl)-oxomethyl]-isopropylamino]-5-phenyl-2-thiophenecarboxylic acid
  • jpc
InChIKey UKNZREOUDLFUFF-UHFFFAOYSA-N
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