1-(4-chlorobenzoyl)-5-methoxy-1H-indole-3-acetic acid

HCID 4711697

Basic information

Standard SMILES
COc1ccc2c(c1)c(CC(=O)O)cn2C(=O)c1ccc(Cl)cc1
InChIKey
DHEMTWWLRLOBKI-UHFFFAOYSA-N
Molecular formula
C18H14ClNO4
Average molar mass
343.8 g/mol
Monoisotopic mass
343.0611356

Names & identifiers

Preferred name
1-(4-chlorobenzoyl)-5-methoxy-1H-indole-3-acetic acid
IUPAC
2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]acetic acid

Names & synonyms

2-demethylindomethacin1-(4-chlorobenzoyl)-5-methoxy-1H-indole-3-acetic acid2-des-methylindomethacin2'-des-methyl indomethacinCHEMBL503179[1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]acetic acidCHEBI:710262-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]acetic acidIndometazinIndomethacin analog 22'-desmethyl-indomethacinEpitope ID:180856
Show more names
2''-des-methyl indomethacinSCHEMBL2694527DHEMTWWLRLOBKI-UHFFFAOYSA-NBDBM50293598Q271392612-(1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl)acetic acid

Database identifiers

PubChem CID
4711697
ChEMBL
CHEMBL503179
ChEBI
CHEBI:71026
Nikkaji
J388.059A

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
68.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
24

Related reactions

2 records

Compound notes

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