5-{4-[2-(acetylamino)ethoxy]phenyl}-6-chloro-1H-indole-3-carboxylic acid

HCID 86698591

Notes Reactions

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Basic information

Standard SMILES: CC(=O)NCCOc1ccc(-c2cc3c(C(=O)O)c[nH]c3cc2Cl)cc1
InChIKey: NWINTRMXZDHKDU-UHFFFAOYSA-N
Molecular formula: C19H17ClN2O4
Average molar mass: 372.8 g/mol

Names & identifiers

Preferred name: 5-{4-[2-(acetylamino)ethoxy]phenyl}-6-chloro-1H-indole-3-carboxylic acid
IUPAC: 5-[4-(2-acetamidoethoxy)phenyl]-6-chloro-1H-indole-3-carboxylic acid

Names & synonyms

CHEMBL3983520SCHEMBL15300725NWINTRMXZDHKDU-UHFFFAOYSA-NBDBM237929US9394285, 105-{4-[2-(acetylamino)ethoxy]phenyl}-6-chloro-1H-indole-3-carboxylic acid

Database identifiers

PubChem CID: 86698591
ChEMBL: CHEMBL3983520

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 91.4 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 26
Formal charge: 0
Complexity: 510

Related reactions

2 records

New reaction record

HRID 338246As productuspto-grants-2014_11

HRID 1054589As productuspto-grants-2016_07

Compound notes

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