N-{3-[3-(Acetylamino)phenoxy]propyl}-3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarboxamide (CHEM060118)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-03 02:06:07 UTC | ||||||||
| Update Date | 2026-04-03 02:06:07 UTC | ||||||||
| Accession Number | CHEM060118 | ||||||||
| Identification | |||||||||
| Common Name | N-{3-[3-(Acetylamino)phenoxy]propyl}-3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarboxamide | ||||||||
| Class | Small Molecule | ||||||||
| Description | N-{3-[3-(Acetylamino)phenoxy]propyl}-3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarboxamide belongs to the anilides, a subclass of benzene and substituted derivatives within the organic compounds. It is categorized under the benzenoids superclass and has the chemical formula C22H21Cl1F1N3O4. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C22H21Cl1F1N3O4 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 445.120 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | N-[3-(3-acetamidophenoxy)propyl]-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | Not Available | ||||||||
| InChI Identifier | InChI=1S/C22H21ClFN3O4/c1-13-19(21(27-31-13)20-17(23)8-4-9-18(20)24)22(29)25-10-5-11-30-16-7-3-6-15(12-16)26-14(2)28/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,25,29)(H,26,28) | ||||||||
| InChI Key | GMNFRAOTCOWMCO-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Description | belongs to the class of organic compounds known as acetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group. | ||||||||
| Kingdom | Organic compounds | ||||||||
| Super Class | Benzenoids | ||||||||
| Class | Benzene and substituted derivatives | ||||||||
| Sub Class | Anilides | ||||||||
| Direct Parent | Acetanilides | ||||||||
| Alternative Parents |
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| Substituents |
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| Molecular Framework | Aromatic heteromonocyclic compounds | ||||||||
| External Descriptors | Not Available | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra | Not Available | ||||||||
| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
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| External Links | |||||||||
| DrugBank ID | Not Available | ||||||||
| HMDB ID | Not Available | ||||||||
| FooDB ID | Not Available | ||||||||
| Phenol Explorer ID | Not Available | ||||||||
| KNApSAcK ID | Not Available | ||||||||
| BiGG ID | Not Available | ||||||||
| BioCyc ID | Not Available | ||||||||
| METLIN ID | Not Available | ||||||||
| PDB ID | Not Available | ||||||||
| Wikipedia Link | Not Available | ||||||||
| Chemspider ID | Not Available | ||||||||
| ChEBI ID | Not Available | ||||||||
| PubChem Compound ID | 2810835 | ||||||||
| Kegg Compound ID | Not Available | ||||||||
| YMDB ID | Not Available | ||||||||
| ECMDB ID | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
