5-(2-Ethoxy-6-fluorophenyl)-3-methyl-1-(4-propoxybenzyl)pyrrolidin-2-one

HCID 69084262

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Basic information

Standard SMILES: CCCOc1ccc(CN2C(=O)C(C)CC2c2c(F)cccc2OCC)cc1
InChIKey: JAAHWDYPLVOEOZ-UHFFFAOYSA-N
Molecular formula: C23H28FNO3
Average molar mass: 385.5 g/mol

Names & identifiers

Preferred name: 5-(2-Ethoxy-6-fluorophenyl)-3-methyl-1-(4-propoxybenzyl)pyrrolidin-2-one
IUPAC: 5-(2-ethoxy-6-fluorophenyl)-3-methyl-1-[(4-propoxyphenyl)methyl]pyrrolidin-2-one

Names & synonyms

SCHEMBL4539995CHEMBL3897167JAAHWDYPLVOEOZ-UHFFFAOYSA-NBDBM203195US9242970, 3775-(2-ethoxy-6-fluorophenyl)-3-methyl-1-(4-propoxybenzyl)pyrrolidin-2-one

Database identifiers

PubChem CID: 69084262
ChEMBL: CHEMBL3897167

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 38.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 28
Formal charge: 0
Complexity: 494

Related reactions

1 records

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HRID 594708As productuspto-grants-2016_01

Compound notes

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