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1-ethyl-5-oxo-N-[(2,3,4-trifluorophenyl)methyl]pyrrolidine-2-carboxamide

HCID 42642489
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCN1C(=O)CCC1C(=O)NCc1ccc(F)c(F)c1F
InChIKey
WRXGNBXFVCLFQR-UHFFFAOYSA-N
Molecular formula
C14H15F3N2O2
Average molar mass
300.28 g/mol

Names & identifiers

Preferred name
1-ethyl-5-oxo-N-[(2,3,4-trifluorophenyl)methyl]pyrrolidine-2-carboxamide
IUPAC
1-ethyl-5-oxo-N-[(2,3,4-trifluorophenyl)methyl]pyrrolidine-2-carboxamide

Names & synonyms

SCHEMBL2581892

Database identifiers

PubChem CID
42642489

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
49.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
21
Formal charge
0
Complexity
408

Related reactions

1 records
New reaction record
HRID 307757 reaction equation
HRID 307757As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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