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Summary

Name:2,6-dichloro-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide
Formula:C16 H12 Cl2 F N3 O2
Formal charge:0
Molecular weight:368.19 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012,6-dichloro-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide
OpenEye OEToolkits1.7.62,6-bis(chloranyl)-N-[2-[[(1R,2R)-2-fluoranylcyclopropyl]carbonylamino]pyridin-4-yl]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc1nccc(c1)NC(=O)c2c(Cl)cccc2Cl)C3CC3F
InChIInChI1.03InChI=1S/C16H12Cl2FN3O2/c17-10-2-1-3-11(18)14(10)16(24)21-8-4-5-20-13(6-8)22-15(23)9-7-12(9)19/h1-6,9,12H,7H2,(H2,20,21,22,23,24)/t9-,12+/m0/s1
InChIKeyInChI1.03RBNYBLHXBHWSCZ-JOYOIKCWSA-N
SMILES_CANONICALCACTVS3.370F[C@@H]1C[C@@H]1C(=O)Nc2cc(NC(=O)c3c(Cl)cccc3Cl)ccn2
SMILESCACTVS3.370F[CH]1C[CH]1C(=O)Nc2cc(NC(=O)c3c(Cl)cccc3Cl)ccn2
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(c(c(c1)Cl)C(=O)Nc2ccnc(c2)NC(=O)[C@H]3C[C@H]3F)Cl
SMILESOpenEye OEToolkits1.7.6c1cc(c(c(c1)Cl)C(=O)Nc2ccnc(c2)NC(=O)C3CC3F)Cl