| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:41 UTC |
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| Update Date | 2025-03-25 00:59:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237124 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14ClN3O2 |
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| Molecular Mass | 267.0775 |
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| SMILES | O=C(Nc1ccc(Cl)cc1)NC1CCCNC1=O |
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| InChI Key | NBFYESGTENUMFU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | n-phenylureas |
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| Direct Parent | n-phenylureas |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsaryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeschlorobenzenesdelta lactamshydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundspiperidinonessecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamaromatic heteromonocyclic compoundorganochloridealpha-amino acid or derivativescarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpiperidinonepiperidineorganoheterocyclic compoundaryl chloridechlorobenzenecarbonic acid derivativeazacyclecarboxamide grouparyl halidedelta-lactamsecondary carboxylic acid amiden-phenylureaorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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