Q69
Summary
| Name: | N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide |
| Formula: | C10 H12 Cl N O2 |
| Formal charge: | 0 |
| Formula weight: | 213.661 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(1~{R})-1-(3-chlorophenyl)-2-oxidanyl-ethyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cc(ccc1)C(NC(C)=O)CO |
| InChI | InChI | 1.06 | InChI=1S/C10H12ClNO2/c1-7(14)12-10(6-13)8-3-2-4-9(11)5-8/h2-5,10,13H,6H2,1H3,(H,12,14)/t10-/m0/s1 |
| InChIKey | InChI | 1.06 | IHPBIPNWENCKAM-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N[C@@H](CO)c1cccc(Cl)c1 |
| SMILES | CACTVS | 3.385 | CC(=O)N[CH](CO)c1cccc(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N[C@@H](CO)c1cccc(c1)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NC(CO)c1cccc(c1)Cl |
