WKV
Summary
| Name: | N-[(5-bromo-2-methoxyphenyl)methyl]acetamide |
| Formula: | C10 H12 Br N O2 |
| Formal charge: | 0 |
| Formula weight: | 258.112 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(5-bromo-2-methoxyphenyl)methyl]acetamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(5-bromanyl-2-methoxy-phenyl)methyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(c1c(OC)ccc(c1)Br)NC(=O)C |
| InChI | InChI | 1.03 | InChI=1S/C10H12BrNO2/c1-7(13)12-6-8-5-9(11)3-4-10(8)14-2/h3-5H,6H2,1-2H3,(H,12,13) |
| InChIKey | InChI | 1.03 | XPAXEIBSVZPJBZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(Br)cc1CNC(C)=O |
| SMILES | CACTVS | 3.385 | COc1ccc(Br)cc1CNC(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)NCc1cc(ccc1OC)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NCc1cc(ccc1OC)Br |
