A1DO3
Summary
| Name: | 4-bromo-N-[(2S)-2-hydroxypropyl]-2-methylbenzamide |
| Formula: | C11 H14 Br N O2 |
| Formal charge: | 0 |
| Formula weight: | 272.138 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 4-bromo-N-[(2S)-2-hydroxypropyl]-2-methylbenzamide |
| OpenEye OEToolkits | 3.1.0.0 | 4-bromanyl-2-methyl-~{N}-[(2~{S})-2-oxidanylpropyl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(NCC(C)O)c1ccc(Br)cc1C |
| InChI | InChI | 1.06 | InChI=1S/C11H14BrNO2/c1-7-5-9(12)3-4-10(7)11(15)13-6-8(2)14/h3-5,8,14H,6H2,1-2H3,(H,13,15)/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | HQHHYEVBKMLQPP-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](O)CNC(=O)c1ccc(Br)cc1C |
| SMILES | CACTVS | 3.385 | C[CH](O)CNC(=O)c1ccc(Br)cc1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1cc(ccc1C(=O)NC[C@H](C)O)Br |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1cc(ccc1C(=O)NCC(C)O)Br |
