0M5
Summary
| Name: | N-(4-chloro-3-fluorophenyl)-N'-{[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl}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'-{[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl}ethanediamide |
| OpenEye OEToolkits | 1.7.6 | N'-(4-chloranyl-3-fluoranyl-phenyl)-N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]ethanediamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ccc(cc1F)NC(=O)C(=O)NCC3CCN(C2CC2)C3 |
| InChI | InChI | 1.03 | InChI=1S/C16H19ClFN3O2/c17-13-4-1-11(7-14(13)18)20-16(23)15(22)19-8-10-5-6-21(9-10)12-2-3-12/h1,4,7,10,12H,2-3,5-6,8-9H2,(H,19,22)(H,20,23)/t10-/m1/s1 |
| InChIKey | InChI | 1.03 | WJMIBQNZONFNCE-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Fc1cc(NC(=O)C(=O)NC[C@H]2CCN(C2)C3CC3)ccc1Cl |
| SMILES | CACTVS | 3.370 | Fc1cc(NC(=O)C(=O)NC[CH]2CCN(C2)C3CC3)ccc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1NC(=O)C(=O)NC[C@H]2CCN(C2)C3CC3)F)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1NC(=O)C(=O)NCC2CCN(C2)C3CC3)F)Cl |
