V2F
2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]-4-(trifluoromethyloxy)benzamide
Created: | 2023-02-20 |
Last modified: | 2024-02-28 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 36 |
Chiral Atom Count | 0 |
Bond Count | 37 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]-4-(trifluoromethyloxy)benzamide |
Synonyms | 2-[(3,5-dichlorophenyl)carbamoylamino]-4-(trifluoromethoxy)benzamide |
Systematic Name (OpenEye OEToolkits) | 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]-4-(trifluoromethyloxy)benzamide |
Formula | C15 H10 Cl2 F3 N3 O3 |
Molecular Weight | 408.159 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | NC(=O)c1ccc(OC(F)(F)F)cc1NC(=O)Nc2cc(Cl)cc(Cl)c2 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1OC(F)(F)F)NC(=O)Nc2cc(cc(c2)Cl)Cl)C(=O)N |
Canonical SMILES | CACTVS | 3.385 | NC(=O)c1ccc(OC(F)(F)F)cc1NC(=O)Nc2cc(Cl)cc(Cl)c2 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1OC(F)(F)F)NC(=O)Nc2cc(cc(c2)Cl)Cl)C(=O)N |
InChI | InChI | 1.06 | InChI=1S/C15H10Cl2F3N3O3/c16-7-3-8(17)5-9(4-7)22-14(25)23-12-6-10(26-15(18,19)20)1-2-11(12)13(21)24/h1-6H,(H2,21,24)(H2,22,23,25) |
InChIKey | InChI | 1.06 | OOVNLFNTPKRWNU-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 156854298 |