Home
MCP
Workbench
Skills
More
English
English
Home
Workbench
Notifications
Me
4-Amino-1-[4-[(3-fluorophenyl)methoxy]phenyl]pyrrolidin-2-one (HCID 67411334)|Huagongshe
Home
/
Compound
4-Amino-1-[4-[(3-fluorophenyl)methoxy]phenyl]pyrrolidin-2-one
HCID
67411334
Save
Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
Substructure search
Find similar structures
Basic information
Standard SMILES
NC1CC(=O)N(c2ccc(OCc3cccc(F)c3)cc2)C1
InChIKey
JRWKTVKWOVQZJA-UHFFFAOYSA-N
Molecular formula
C17H17FN2O2
Average molar mass
300.33 g/mol
Monoisotopic mass
300.12740595
Names & identifiers
Preferred name
4-Amino-1-[4-[(3-fluorophenyl)methoxy]phenyl]pyrrolidin-2-one
IUPAC
4-amino-1-[4-[(3-fluorophenyl)methoxy]phenyl]pyrrolidin-2-one
Names & synonyms
SCHEMBL2445758
Database identifiers
PubChem CID
67411334
Properties
Computed structural properties
XLogP
1.7
Topological polar surface area
55.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
22
Formal charge
0
Complexity
385
Show all 8
Show all 8 / 8
Related reactions
7 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
182480
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
318290
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
691605
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID
694790
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID
812832
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
HRID
836095
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
HRID
1225556
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Show 3 more
Compound notes
Loading…