0M4
Summary
| Name: | N-(4-chloro-3-fluorophenyl)-N'-[(3aS,6aS)-hexahydrocyclopenta[c]pyrrol-3a(1H)-ylmethyl]ethanediamide |
| Formula: | C16 H19 Cl F N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 339.792 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(4-chloro-3-fluorophenyl)-N'-[(3aS,6aS)-hexahydrocyclopenta[c]pyrrol-3a(1H)-ylmethyl]ethanediamide |
| OpenEye OEToolkits | 1.7.6 | N-[[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]methyl]-N'-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ccc(cc1F)NC(=O)C(=O)NCC32CCCC3CNC2 |
| InChI | InChI | 1.03 | InChI=1S/C16H19ClFN3O2/c17-12-4-3-11(6-13(12)18)21-15(23)14(22)20-9-16-5-1-2-10(16)7-19-8-16/h3-4,6,10,19H,1-2,5,7-9H2,(H,20,22)(H,21,23)/t10-,16+/m1/s1 |
| InChIKey | InChI | 1.03 | BZIHKIJDFGVAIC-HWPZZCPQSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Fc1cc(NC(=O)C(=O)NC[C@@]23CCC[C@@H]2CNC3)ccc1Cl |
| SMILES | CACTVS | 3.370 | Fc1cc(NC(=O)C(=O)NC[C]23CCC[CH]2CNC3)ccc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1NC(=O)C(=O)NC[C@@]23CCC[C@@H]2CNC3)F)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1NC(=O)C(=O)NCC23CCCC2CNC3)F)Cl |
