OTV
Summary
| Name: | 2-(3-chloro-5-{[(1S,2R)-2-(trifluoromethyl)cyclopropyl]amino}phenyl)-N-(4-methylpyridin-3-yl)acetamide |
| Formula: | C18 H17 Cl F3 N3 O |
| Formal charge: | 0 |
| Formula weight: | 383.795 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(3-chloro-5-{[(1S,2R)-2-(trifluoromethyl)cyclopropyl]amino}phenyl)-N-(4-methylpyridin-3-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-[3-chloranyl-5-[[(1~{S},2~{R})-2-(trifluoromethyl)cyclopropyl]amino]phenyl]-~{N}-(4-methylpyridin-3-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1cnccc1C)Cc1cc(NC2CC2C(F)(F)F)cc(Cl)c1 |
| InChI | InChI | 1.06 | InChI=1S/C18H17ClF3N3O/c1-10-2-3-23-9-16(10)25-17(26)6-11-4-12(19)7-13(5-11)24-15-8-14(15)18(20,21)22/h2-5,7,9,14-15,24H,6,8H2,1H3,(H,25,26)/t14-,15+/m1/s1 |
| InChIKey | InChI | 1.06 | ROXLXWPALVCDCD-CABCVRRESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccncc1NC(=O)Cc2cc(Cl)cc(N[C@H]3C[C@H]3C(F)(F)F)c2 |
| SMILES | CACTVS | 3.385 | Cc1ccncc1NC(=O)Cc2cc(Cl)cc(N[CH]3C[CH]3C(F)(F)F)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)N[C@H]3C[C@H]3C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)NC3CC3C(F)(F)F |
