H5D
Summary
| Name: | 2-{3-[(2S)-1-acetylpyrrolidin-2-yl]phenyl}-N-(3-chlorophenyl)acetamide |
| Formula: | C20 H21 Cl N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 356.846 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-{3-[(2S)-1-acetylpyrrolidin-2-yl]phenyl}-N-(3-chlorophenyl)acetamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-(3-chlorophenyl)-2-[3-[(2~{S})-1-ethanoylpyrrolidin-2-yl]phenyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(c1cccc(c1)Cl)C(Cc3cc(C2CCCN2C(=O)C)ccc3)=O |
| InChI | InChI | 1.03 | InChI=1S/C20H21ClN2O2/c1-14(24)23-10-4-9-19(23)16-6-2-5-15(11-16)12-20(25)22-18-8-3-7-17(21)13-18/h2-3,5-8,11,13,19H,4,9-10,12H2,1H3,(H,22,25)/t19-/m0/s1 |
| InChIKey | InChI | 1.03 | VRSVKGOGNLDSRR-IBGZPJMESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCC[C@H]1c2cccc(CC(=O)Nc3cccc(Cl)c3)c2 |
| SMILES | CACTVS | 3.385 | CC(=O)N1CCC[CH]1c2cccc(CC(=O)Nc3cccc(Cl)c3)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)N1CCC[C@H]1c2cccc(c2)CC(=O)Nc3cccc(c3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)N1CCCC1c2cccc(c2)CC(=O)Nc3cccc(c3)Cl |
