1H-Indole-2-carboxylic acid, 4,6-dichloro-3-[3-oxo-3-[(phenylmethyl)amino]-1-propenyl]-, (E)-

HCID 10691730

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Basic information

CAS: 144989-52-6
Standard SMILES: O=C(/C=C/c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)NCc1ccccc1
InChIKey: UHUGWVWRYRSWAS-VOTSOKGWSA-N
Molecular formula: C19H14Cl2N2O3
Average molar mass: 389.2 g/mol
Monoisotopic mass: 388.0381477

Names & identifiers

Preferred name: 1H-Indole-2-carboxylic acid, 4,6-dichloro-3-[3-oxo-3-[(phenylmethyl)amino]-1-propenyl]-, (E)-
IUPAC: 3-[(E)-3-(benzylamino)-3-oxoprop-1-enyl]-4,6-dichloro-1H-indole-2-carboxylic acid

Names & synonyms

SCHEMBL9433248CHEMBL1206904DTXSID101119069144989-52-61H-Indole-2-carboxylic acid, 4,6-dichloro-3-[3-oxo-3-[(phenylmethyl)amino]-1-propenyl]-, (E)-3-[(1E)-3-(Benzylamino)-3-oxoprop-1-en-1-yl]-4,6-dichloro-1H-indole-2-carboxylic acid

Database identifiers

CAS: 144989-52-6
PubChem CID: 10691730
DTXSID: DTXSID101119069
ChEMBL: CHEMBL1206904

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 82.2 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 26
Formal charge: 0
Complexity: 551

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