5-Fluoro-1-(4-methoxy-benzyl)-1,3-dihydro-indol-2-one

HCID 21082256

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COc1ccc(CN2C(=O)Cc3cc(F)ccc32)cc1
InChIKey: ZDOAFGXOSHMUPG-UHFFFAOYSA-N
Molecular formula: C16H14FNO2
Average molar mass: 271.29 g/mol

Names & identifiers

Preferred name: 5-Fluoro-1-(4-methoxy-benzyl)-1,3-dihydro-indol-2-one
IUPAC: 5-fluoro-1-[(4-methoxyphenyl)methyl]-3H-indol-2-one

Names & synonyms

SCHEMBL3020306ZDOAFGXOSHMUPG-UHFFFAOYSA-N5-fluoro-1-(4-methoxy-benzyl)-1,3-dihydro-indol-2-one

Database identifiers

PubChem CID: 21082256

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 354

Related reactions

8 records

New reaction record

HRID 15267 reaction equation

HRID 15267As productuspto-grants-2010_06

HRID 132122 reaction equation

HRID 132122As productuspto-grants-2008_06

HRID 347268 reaction equation

HRID 347268As productuspto-grants-2007_02

HRID 853831 reaction equation

HRID 853831As productuspto-grants-2007_08

HRID 969780 reaction equation

HRID 969780As productuspto-grants-2007_12

HRID 1573690 reaction equation

HRID 1573690As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1786437 reaction equation

HRID 1786437As productuspto-grants-2009_03

HRID 2249941 reaction equation

HRID 2249941As productuspto-grants-2008_01

Compound notes

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