HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 12831738Generated: November 5, 2026
1-[2-(o-chlorobenzoyl)-4-chlorophenyl]-5-[(dimethylamino)-methyl]-1H-1,2,4-triazole-3-carboxamide
https://huagongshe.com/en/chemical/12831738
Identifiers & Physical Properties
| Molecular formula | C19H17Cl2N5O2 |
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| Average molar mass | 418.3 g/mol |
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| Monoisotopic mass | 417.0759302 g/mol |
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| SMILES | CN(C)Cc1nc(C(N)=O)nn1-c1ccc(Cl)cc1C(=O)c1ccccc1Cl |
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| InChIKey | MMQJREHEIQLQIM-UHFFFAOYSA-N |
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| PubChem CID | 12831738 |
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Chemical & Physical Properties
| XLogP | 3.3 |
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| Topological polar surface area | 94.1 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 6 |
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| Heavy atoms | 28 |
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| Formal charge | 0 |
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| Complexity | 579 |
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![1-[2-(o-chlorobenzoyl)-4-chlorophenyl]-5-[(dimethylamino)-methyl]-1H-1,2,4-triazole-3-carboxamide molecular structure](/img/chemical/12831738.png)