KNU
Summary
| Name: | N-[(1S)-1-(3-chloro-5-fluorophenyl)ethyl]acetamide |
| Formula: | C10 H11 Cl F N O |
| Formal charge: | 0 |
| Formula weight: | 215.652 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(1S)-1-(3-chloro-5-fluorophenyl)ethyl]acetamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(1~{S})-1-(3-chloranyl-5-fluoranyl-phenyl)ethyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1cc(cc(Cl)c1)C(C)NC(C)=O |
| InChI | InChI | 1.06 | InChI=1S/C10H11ClFNO/c1-6(13-7(2)14)8-3-9(11)5-10(12)4-8/h3-6H,1-2H3,(H,13,14)/t6-/m0/s1 |
| InChIKey | InChI | 1.06 | UITKLCSYIUGNOE-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](NC(C)=O)c1cc(F)cc(Cl)c1 |
| SMILES | CACTVS | 3.385 | C[CH](NC(C)=O)c1cc(F)cc(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](c1cc(cc(c1)Cl)F)NC(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1cc(cc(c1)Cl)F)NC(=O)C |
