W77
Summary
| Name: | 2,4-dichloro-N-(pyridin-3-yl)benzamide |
| Formula: | C12 H8 Cl2 N2 O |
| Formal charge: | 0 |
| Formula weight: | 267.111 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,4-dichloro-N-(pyridin-3-yl)benzamide |
| OpenEye OEToolkits | 1.7.6 | 2,4-bis(chloranyl)-N-pyridin-3-yl-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2cc(NC(=O)c1ccc(Cl)cc1Cl)cnc2 |
| InChI | InChI | 1.03 | InChI=1S/C12H8Cl2N2O/c13-8-3-4-10(11(14)6-8)12(17)16-9-2-1-5-15-7-9/h1-7H,(H,16,17) |
| InChIKey | InChI | 1.03 | RQQYPUUCNNBJEH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(c(Cl)c1)C(=O)Nc2cccnc2 |
| SMILES | CACTVS | 3.385 | Clc1ccc(c(Cl)c1)C(=O)Nc2cccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cnc1)NC(=O)c2ccc(cc2Cl)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cnc1)NC(=O)c2ccc(cc2Cl)Cl |
