N-{[1-(4-Chlorobenzoyl)-5-Methoxy-2-Methyl-1H-Indol-3-Yl]Acetyl}Glycine

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Properties Simple | Detailed

Formula C21H19ClN2O5
IUPAC Name 2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-1-ium-2-ylium-3-yl]acetyl]amino]acetic acid
Molecular Mass 414.839 g·mol−1
Heat of Formation -691.2 ± 16.7 kJ·mol−1
Dipole Moment 3.75 ± 1.08 D
Volume 471.98 Å 3
Surface Area 389.44 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoylamino]ethanoic acid
  • 2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetyl]amino]acetic acid
  • 2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]acetic acid
  • 2-[[2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]-1-oxoethyl]amino]acetic acid
  • glycine, n-((1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1h-indol-3-yl)acetyl)-
  • n-((1-(p-chlorobenzoyl)-5-methoxy-2-methyl-1h-indol-3-yl)acetyl)glycine
  • n-indomethacycloglycine
  • n-indomethacyl-glycine
CAS Number(s)
  • 2854-21-9
InChIKey NEAUYGMNRFJYLA-UHFFFAOYSA-N
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Elements H C N O Cl