WJJ
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 | 12.01 | (2R)-3-(4-bromophenyl)-2-methylpropanamide |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-3-(4-bromophenyl)-2-methyl-propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cc(ccc1CC(C)C(N)=O)Br |
| InChI | InChI | 1.03 | 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 | 1.03 | 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 | 2.0.7 | C[C@@H](Cc1ccc(cc1)Br)C(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(Cc1ccc(cc1)Br)C(=O)N |
