8U4
Summary
| Name: | N-[(3-chlorophenyl)methyl]acetamide |
| Formula: | C9 H10 Cl N O |
| Formal charge: | 0 |
| Formula weight: | 183.635 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(3-chlorophenyl)methyl]acetamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[(3-chlorophenyl)methyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(C(C)=O)Cc1cccc(c1)Cl |
| InChI | InChI | 1.03 | InChI=1S/C9H10ClNO/c1-7(12)11-6-8-3-2-4-9(10)5-8/h2-5H,6H2,1H3,(H,11,12) |
| InChIKey | InChI | 1.03 | LYHALKPDXBYGLK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NCc1cccc(Cl)c1 |
| SMILES | CACTVS | 3.385 | CC(=O)NCc1cccc(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)NCc1cccc(c1)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)NCc1cccc(c1)Cl |
