MWD
Summary
| Name: | (3S)-N~3~-(4-chloro-3-fluorophenyl)-N~1~-propylpiperidine-1,3-dicarboxamide |
| Formula: | C16 H21 Cl F N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 341.808 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-N~3~-(4-chloro-3-fluorophenyl)-N~1~-propylpiperidine-1,3-dicarboxamide |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-~{N}3-(4-chloranyl-3-fluoranyl-phenyl)-~{N}1-propyl-piperidine-1,3-dicarboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(C1CCCN(C(NCCC)=O)C1)Nc2ccc(c(c2)F)Cl |
| InChI | InChI | 1.03 | InChI=1S/C16H21ClFN3O2/c1-2-7-19-16(23)21-8-3-4-11(10-21)15(22)20-12-5-6-13(17)14(18)9-12/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,19,23)(H,20,22)/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | YXSFKFUFRNSJGC-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCNC(=O)N1CCC[C@@H](C1)C(=O)Nc2ccc(Cl)c(F)c2 |
| SMILES | CACTVS | 3.385 | CCCNC(=O)N1CCC[CH](C1)C(=O)Nc2ccc(Cl)c(F)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCNC(=O)N1CCC[C@@H](C1)C(=O)Nc2ccc(c(c2)F)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCNC(=O)N1CCCC(C1)C(=O)Nc2ccc(c(c2)F)Cl |
