W6W
Summary
| Name: | N~3~-[(2-bromophenyl)methyl]-N~3~-methyl-beta-alaninamide |
| Formula: | C11 H15 Br N2 O |
| Formal charge: | 0 |
| Formula weight: | 271.154 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~3~-[(2-bromophenyl)methyl]-N~3~-methyl-beta-alaninamide |
| OpenEye OEToolkits | 2.0.7 | 3-[(2-bromophenyl)methyl-methyl-amino]propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1ccccc1CN(C)CCC(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C11H15BrN2O/c1-14(7-6-11(13)15)8-9-4-2-3-5-10(9)12/h2-5H,6-8H2,1H3,(H2,13,15) |
| InChIKey | InChI | 1.06 | MUUHBGHVBAJHCL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(CCC(N)=O)Cc1ccccc1Br |
| SMILES | CACTVS | 3.385 | CN(CCC(N)=O)Cc1ccccc1Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(CCC(=O)N)Cc1ccccc1Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(CCC(=O)N)Cc1ccccc1Br |
