T7V
Summary
| Name: | N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide |
| Formula: | C10 H12 Cl N O |
| Formal charge: | 0 |
| Formula weight: | 197.661 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(1~{R})-1-(3-chlorophenyl)ethyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cc(Cl)cc(C(C)NC(=O)C)c1 |
| InChI | InChI | 1.03 | InChI=1S/C10H12ClNO/c1-7(12-8(2)13)9-4-3-5-10(11)6-9/h3-7H,1-2H3,(H,12,13)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | XDFGWKFEFHPPQO-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](NC(C)=O)c1cccc(Cl)c1 |
| SMILES | CACTVS | 3.385 | C[CH](NC(C)=O)c1cccc(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](c1cccc(c1)Cl)NC(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1cccc(c1)Cl)NC(=O)C |
