5Q9
Summary
| Name: | ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]-~{N}-methyl-ethanamide |
| Formula: | C10 H11 Cl2 N O |
| Formal charge: | 0 |
| Formula weight: | 232.106 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]-~{N}-methyl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H11Cl2NO/c1-7(14)13(2)6-8-9(11)4-3-5-10(8)12/h3-5H,6H2,1-2H3 |
| InChIKey | InChI | 1.03 | UENKEFYXNFQIIC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(Cc1c(Cl)cccc1Cl)C(C)=O |
| SMILES | CACTVS | 3.385 | CN(Cc1c(Cl)cccc1Cl)C(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CC(=O)N(C)Cc1c(cccc1Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.4 | CC(=O)N(C)Cc1c(cccc1Cl)Cl |
