UA0
Summary
| Name: | ~{N}-(3-chlorophenyl)-2-pyrrolidin-1-yl-ethanamide |
| Formula: | C12 H15 Cl N2 O |
| Formal charge: | 0 |
| Formula weight: | 238.713 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(3-chlorophenyl)-2-pyrrolidin-1-yl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H15ClN2O/c13-10-4-3-5-11(8-10)14-12(16)9-15-6-1-2-7-15/h3-5,8H,1-2,6-7,9H2,(H,14,16) |
| InChIKey | InChI | 1.06 | LYOGVEMYZLFKJY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc(NC(=O)CN2CCCC2)c1 |
| SMILES | CACTVS | 3.385 | Clc1cccc(NC(=O)CN2CCCC2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)NC(=O)CN2CCCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)NC(=O)CN2CCCC2 |
