chempirical

Indomethacin

C19H16ClNO4CAS 53-86-1357.79 g/mol

Open in Covalent MOL file
OOOHNOCl
Aryl halideCarboxylic acidEther

Properties

Molecular formula
C19H16ClNO4
Molar mass
357.79 g/mol
Exact mass
357.0768 Da
Density
1.38 g/mL
Melting point
158 °C
logP
3.93Crippen estimate
Polar surface area
68.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Identifiers

CAS number
53-86-1
SMILES
COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1
InChIKey
CGIGDMFJXJATDK-UHFFFAOYSA-N
InChI
InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

84 names · show all
  • 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-
  • Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-
  • 1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid
  • Amuno
  • 1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid
  • 1-(p-Chlorobenzoyl)-2-methyl-5-methoxyindole-3-acetic acid
  • α-[1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolyl]acetic acid
  • Indocid
  • Indocin
  • Indometacin
  • Indomethacine
  • Metindol
  • N-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolylacetic acid
  • 1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-3-indolylacetic acid
  • Artrinovo
  • Artrivia
  • Confortid
  • Idomethine
  • Inacid
  • Indomed
  • Indomee
  • Infrocin
  • Mezolin
  • Methazine
  • Indacin
  • 1-(4-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid
  • Indomecol
  • Metacen
  • Metartril
  • Dolovin
  • Indo-rectolmin
  • Reumacide
  • Sadoreum
  • 1-(4-Chlorobenzoyl)-2-methyl-5-methoxyindole-3-acetic acid
  • Indometacine
  • 1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolylacetic acid
  • Indren
  • Inteban
  • Chrono-indocid 75
  • Dolcidium PL
  • Bonidon gel
  • Imbrilon
  • Indomod
  • Indo-phlogont
  • Indo-tablinen
  • Dolcidium
  • Bonidin
  • Mobilan
  • Indomethine
  • Inflazon
  • Elmetacin
  • Indoxen
  • Vonum
  • Tannex
  • Durametacin
  • Indoptic
  • Argun
  • Mikametan
  • Catlep
  • Indoptol
  • Chrono-indicid
  • Lausit
  • Rheumacin LA
  • Inteban SP
  • Chibro-amuno
  • Artracin
  • Indorektal
  • Indocid (pharmaceutical)
  • Innamit
  • Indonol
  • [1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid
  • Vital vitacid
  • IndoRich
  • Flam
  • Globa
  • NSC 77541
  • Indocollyre
  • Endol
  • Microcid
  • Indocine
  • Aconip
  • 2-[1-(4-Chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid
  • 2-[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid
  • IMC

Work with Indomethacin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Acemetacin53164-05-982 % similar 2-[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-1-(4-morpholinyl)ethanone2854-32-269 % similar 5-Methoxy-2-methylindole-3-acetic acid2882-15-750 % similar 7-Methoxy-1-naphthaleneacetic acid6836-22-244 % similar 5-Methoxyindoleacetic acid3471-31-642 % similar (3-Methoxyphenyl)acetic acid1798-09-041 % similar 2,5-Dimethoxyphenylacetic acid1758-25-441 % similar 6-Methoxy-2-naphthylacetic acid23981-47-740 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

9-Demethoxy-9-hydroxyberberinium chloride15401-69-1 N-(4-Chloro-2,5-dimethoxyphenyl)-3-hydroxy-2-naphthalenecarboxamide4273-92-1 N-(5-Chloro-2,4-dimethoxyphenyl)-3-hydroxy-2-naphthalenecarboxamide92-72-8

Elsewhere

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