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Compound
1-ethyl-5-oxo-N-[(2,3,4-trifluorophenyl)methyl]pyrrolidine-2-carboxamide
HCID
42642489
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Basic information
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Properties
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Compound notes
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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
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Related reactions
1 records
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As solvent
HRID
307757
As product
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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