A1DOS
Summary
| Name: | (2R)-3-(4-bromophenyl)-2-methylpropanamide |
| Formula: | C10 H12 Br N O |
| Formal charge: | 0 |
| Formula weight: | 242.112 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (2R)-3-(4-bromophenyl)-2-methylpropanamide |
| OpenEye OEToolkits | 3.1.0.0 | (2~{R})-3-(4-bromophenyl)-2-methyl-propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Brc1ccc(CC(C)C(N)=O)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C10H12BrNO/c1-7(10(12)13)6-8-2-4-9(11)5-3-8/h2-5,7H,6H2,1H3,(H2,12,13)/t7-/m1/s1 |
| InChIKey | InChI | 1.06 | VNVHVVCGGLSQIF-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](Cc1ccc(Br)cc1)C(N)=O |
| SMILES | CACTVS | 3.385 | C[CH](Cc1ccc(Br)cc1)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@H](Cc1ccc(cc1)Br)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(Cc1ccc(cc1)Br)C(=O)N |
