acetic acid (5-fluoro-2-oxo-2,3-dihydro-1H-indol-6-ylcarbamoyl)-methyl ester

HCID 59250091

Notes Reactions

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Basic information

CAS: 1082990-16-6
Standard SMILES: CC(=O)OCC(=O)Nc1cc2c(cc1F)CC(=O)N2
InChIKey: LKYAAIZBEAZHNC-UHFFFAOYSA-N
Molecular formula: C12H11FN2O4
Average molar mass: 266.22 g/mol
Monoisotopic mass: 266.070285

Names & identifiers

Preferred name: acetic acid (5-fluoro-2-oxo-2,3-dihydro-1H-indol-6-ylcarbamoyl)-methyl ester
IUPAC: [2-[(5-fluoro-2-oxo-1,3-dihydroindol-6-yl)amino]-2-oxoethyl] acetate

Names & synonyms

SCHEMBL12016987LKYAAIZBEAZHNC-UHFFFAOYSA-NDTXSID401161940acetic acid (5-fluoro-2-oxo-2,3-dihydro-1H-indol-6-ylcarbamoyl)-methyl ester1082990-16-62-(Acetyloxy)-N-(5-fluoro-2,3-dihydro-2-oxo-1H-indol-6-yl)acetamide2-[(5-Fluoro-2-oxo-2,3-dihydro-1H-indol-6-yl)amino]-2-oxoethyl acetate

Database identifiers

CAS: 1082990-16-6
PubChem CID: 59250091
DTXSID: DTXSID401161940

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 84.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 19
Formal charge: 0
Complexity: 401

Related reactions

5 records

New reaction record

HRID 112702As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 2068734As reactantuspto-grants-2012_10

HRID 2160556As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2191447As productuspto-grants-2012_12

HRID 2191448As reactantuspto-grants-2012_12

Compound notes

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