4-Chloro-2-{[(2E)-3-(4-Pentylphenyl)-2-Propenoyl]Amino}Benzoic Acid

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Properties Simple | Detailed

Formula C21H22ClNO3
IUPAC Name 4-chloro-2-[[(e)-3-(4-pentylphenyl)prop-2-enoyl]amino]benzoic acid
Molecular Mass 371.857 g·mol−1
Heat of Formation -471.1 ± 16.7 kJ·mol−1
Dipole Moment 4.54 ± 1.08 D
Volume 446.26 Å 3
Surface Area 413.12 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy -1.13 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(4-amylcinnamoyl)amino-4-chlorobenzoic acid
  • 2-[[(e)-3-(4-amylphenyl)acryloyl]amino]-4-chloro-benzoic acid
  • 4-chloro-2-[[(e)-1-oxo-3-(4-pentylphenyl)prop-2-enyl]amino]benzoic acid
  • 4-chloro-2-[[(e)-3-(4-pentylphenyl)prop-2-enoyl]amino]benzoic acid
  • benzoic acid, 4-chloro-2-((1-oxo-3-(4-pentylphenyl)-2-propenyl)amino)-, (e)-
  • ono-rs 082
  • ono-rs-082
CAS Number(s)
  • 99754-06-0
InChIKey MDVFITMPFHDRBZ-JLHYYAGUSA-N
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Elements H C N O Cl