W5Q
Summary
| Name: | N~2~-[(1S)-1-(2,4-difluorophenyl)ethyl]-N-ethylglycinamide |
| Formula: | C12 H16 F2 N2 O |
| Formal charge: | 0 |
| Formula weight: | 242.265 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~2~-[(1S)-1-(2,4-difluorophenyl)ethyl]-N-ethylglycinamide |
| OpenEye OEToolkits | 2.0.7 | 2-[[(1~{S})-1-[2,4-bis(fluoranyl)phenyl]ethyl]amino]-~{N}-ethyl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1cc(F)ccc1C(C)NCC(=O)NCC |
| InChI | InChI | 1.06 | InChI=1S/C12H16F2N2O/c1-3-15-12(17)7-16-8(2)10-5-4-9(13)6-11(10)14/h4-6,8,16H,3,7H2,1-2H3,(H,15,17)/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | MBDHDPFJMNIJOR-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNC(=O)CN[C@@H](C)c1ccc(F)cc1F |
| SMILES | CACTVS | 3.385 | CCNC(=O)CN[CH](C)c1ccc(F)cc1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCNC(=O)CN[C@@H](C)c1ccc(cc1F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCNC(=O)CNC(C)c1ccc(cc1F)F |
