N-[(5-Chloro-1-benzothiophen-3-yl)methyl]-2-(4-chlorophenoxy)nicotinamide (CHEM060465)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-03 02:44:51 UTC | ||||||||
| Update Date | 2026-04-03 02:44:51 UTC | ||||||||
| Accession Number | CHEM060465 | ||||||||
| Identification | |||||||||
| Common Name | N-[(5-Chloro-1-benzothiophen-3-yl)methyl]-2-(4-chlorophenoxy)nicotinamide | ||||||||
| Class | Small Molecule | ||||||||
| Description | N-[(5-Chloro-1-benzothiophen-3-yl)methyl]-2-(4-chlorophenoxy)nicotinamide belongs to the ethers, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the chemical formula C21H14Cl2N2O2S1. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C21H14Cl2N2O2S1 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 428.015 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | N-[(5-chloro-1-benzothiophen-3-yl)methyl]-2-(4-chlorophenoxy)pyridine-3-carboxamide | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | Not Available | ||||||||
| InChI Identifier | InChI=1S/C21H14Cl2N2O2S/c22-14-3-6-16(7-4-14)27-21-17(2-1-9-24-21)20(26)25-11-13-12-28-19-8-5-15(23)10-18(13)19/h1-10,12H,11H2,(H,25,26) | ||||||||
| InChI Key | QYHBXEIVDFWXED-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Description | belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups. | ||||||||
| Kingdom | Organic compounds | ||||||||
| Super Class | Organic oxygen compounds | ||||||||
| Class | Organooxygen compounds | ||||||||
| Sub Class | Ethers | ||||||||
| Direct Parent | Diarylethers | ||||||||
| Alternative Parents | |||||||||
| Substituents |
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| Molecular Framework | Aromatic heteropolycyclic 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 | 2811665 | ||||||||
| 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 | ||||||||
