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5-Fluoro-3-(4-methoxy-3,5-dimethylbenzylidene)-1,3-dihydroindol-2-one

HCID 54091019
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1c(C)cc(C=C2C(=O)Nc3ccc(F)cc32)cc1C
InChIKey
MTVQWJUPUZYEIM-UHFFFAOYSA-N
Molecular formula
C18H16FNO2
Average molar mass
297.3 g/mol

Names & identifiers

Preferred name
5-Fluoro-3-(4-methoxy-3,5-dimethylbenzylidene)-1,3-dihydroindol-2-one
IUPAC
5-fluoro-3-[(4-methoxy-3,5-dimethylphenyl)methylidene]-1H-indol-2-one

Names & synonyms

SCHEMBL6392850MTVQWJUPUZYEIM-UHFFFAOYSA-N5-fluoro-3-(4-methoxy-3,5-dimethylbenzylidene)-1,3-dihydroindol-2-one

Database identifiers

PubChem CID
54091019

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
22
Formal charge
0
Complexity
452

Related reactions

3 records
New reaction record
HRID 24466 reaction equation
HRID 24466As productuspto-grants-2005_02
HRID 1558808 reaction equation
HRID 1558808As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1860867 reaction equation
HRID 1860867As productuspto-grants-2003_03

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes