Home
MCP
Workbench
Skills
More
English
English
Home
Workbench
Notifications
Me
N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide (HCID 42642373)|Huagongshe
Home
/
Compound
N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
HCID
42642373
Save
Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
Substructure search
Find similar structures
Basic information
Standard SMILES
CCN1C(=O)CCC1C(=O)NCc1ccc(F)cc1Cl
InChIKey
BMIVDFLLDZWXLU-UHFFFAOYSA-N
Molecular formula
C14H16ClFN2O2
Average molar mass
298.74 g/mol
Monoisotopic mass
298.0884336
Names & identifiers
Preferred name
N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
IUPAC
N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
Names & synonyms
SCHEMBL2581864
Database identifiers
PubChem CID
42642373
Properties
Computed structural properties
XLogP
1.8
Topological polar surface area
49.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
20
Formal charge
0
Complexity
380
Show all 8
Show all 8 / 8
Related reactions
3 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
933858
As product
Validation data from https://doi.org/10.1039/C8SC04228D
HRID
2156235
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID
2334560
As product
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Compound notes
Loading…