| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:12:50 UTC |
|---|
| Update Date | 2025-03-25 00:58:25 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02230625 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H11ClFNO2 |
|---|
| Molecular Mass | 243.0462 |
|---|
| SMILES | CN1C(=O)C(O)CC1c1ccc(Cl)cc1F |
|---|
| InChI Key | KNOLYAXKWBLMSS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyrrolidines |
|---|
| Subclass | phenylpyrrolidines |
|---|
| Direct Parent | phenylpyrrolidines |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | aryl chloridesaryl fluoridesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeschlorobenzenesfluorobenzeneshydrocarbon derivativeslactamsn-alkylpyrrolidinesorganic oxidesorganochloridesorganofluoridesorganonitrogen compoundsorganopnictogen compoundspyrrolespyrrolidine-2-onessecondary alcoholstertiary carboxylic acid amides |
|---|
| Substituents | aryl fluoride2-pyrrolidonemonocyclic benzene moietycarbonyl grouplactamaromatic heteromonocyclic compoundorganochloridecarboxylic acid derivativeorganohalogen compoundfluorobenzeneorganic oxidetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundpyrrolidonearyl chloridechlorobenzenealcoholazacyclen-alkylpyrrolidineorganofluoride2-phenylpyrrolidinecarboxamide grouparyl halideorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
|---|
