A1AR5
Summary
| Name: | 2,2-dichloro-N-(5-chloropyridin-3-yl)-N-phenylacetamide |
| Formula: | C13 H9 Cl3 N2 O |
| Formal charge: | 0 |
| Formula weight: | 315.582 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,2-dichloro-N-(5-chloropyridin-3-yl)-N-phenylacetamide |
| OpenEye OEToolkits | 2.0.7 | 2,2-bis(chloranyl)-~{N}-(5-chloranylpyridin-3-yl)-~{N}-phenyl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cc(cnc1)N(C(=O)C(Cl)Cl)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C13H9Cl3N2O/c14-9-6-11(8-17-7-9)18(13(19)12(15)16)10-4-2-1-3-5-10/h1-8,12H |
| InChIKey | InChI | 1.06 | ZQXHOKOBTZIKQF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ClC(Cl)C(=O)N(c1ccccc1)c2cncc(Cl)c2 |
| SMILES | CACTVS | 3.385 | ClC(Cl)C(=O)N(c1ccccc1)c2cncc(Cl)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)N(c2cc(cnc2)Cl)C(=O)C(Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)N(c2cc(cnc2)Cl)C(=O)C(Cl)Cl |
