5-Chloro-3-(5-dimethylamino-3H-isobenzofuran-1-ylidene)-1,3-dihydroindol-2-one

HCID 68835804

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CN(C)c1ccc2c(c1)COC2=C1C(=O)Nc2ccc(Cl)cc21
InChIKey: AAWGXTVESOJMNP-UHFFFAOYSA-N
Molecular formula: C18H15ClN2O2
Average molar mass: 326.8 g/mol

Names & identifiers

Preferred name: 5-Chloro-3-(5-dimethylamino-3H-isobenzofuran-1-ylidene)-1,3-dihydroindol-2-one
IUPAC: 5-chloro-3-[5-(dimethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one

Names & synonyms

SCHEMBL3911011AAWGXTVESOJMNP-UHFFFAOYSA-N5-chloro-3-(5-dimethylamino-3H-isobenzofuran-1-ylidene)-1,3-dihydro-indol-2-one5-Chloro-3-(5-dimethylamino-3H-isobenzofuran-1-ylidene)-1,3-dihydroindol-2-one5-Chloro-3-(5-dimethylamino-3H-isobenzofuran-1-ylidene)1,3-dihydro-indol-2-one

Database identifiers

PubChem CID: 68835804

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 41.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 23
Formal charge: 0
Complexity: 533

Related reactions

10 records

New reaction record

HRID 47251As productuspto-grants-2004_03

HRID 47252As reactantuspto-grants-2004_03

HRID 209801As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 352306As productuspto-grants-2004_06

HRID 492168As productuspto-grants-2009_05

HRID 492169As reactantuspto-grants-2009_05

HRID 833927As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 1141863As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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