O0R
Summary
| Name: | 2-(3-chlorophenyl)-N-(4-cyclopropylpyridin-3-yl)acetamide |
| Formula: | C16 H15 Cl N2 O |
| Formal charge: | 0 |
| Formula weight: | 286.756 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(3-chlorophenyl)-N-(4-cyclopropylpyridin-3-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-(3-chlorophenyl)-~{N}-(4-cyclopropylpyridin-3-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1cnccc1C1CC1)Cc1cccc(Cl)c1 |
| InChI | InChI | 1.06 | InChI=1S/C16H15ClN2O/c17-13-3-1-2-11(8-13)9-16(20)19-15-10-18-7-6-14(15)12-4-5-12/h1-3,6-8,10,12H,4-5,9H2,(H,19,20) |
| InChIKey | InChI | 1.06 | TVYREULMZIPGLM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc(CC(=O)Nc2cnccc2C3CC3)c1 |
| SMILES | CACTVS | 3.385 | Clc1cccc(CC(=O)Nc2cnccc2C3CC3)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)CC(=O)Nc2cnccc2C3CC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)CC(=O)Nc2cnccc2C3CC3 |
