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5PT

Summary
Name:2-fluoranyl-N1-(4-fluorophenyl)-N3-(2-methylphenyl)benzene-1,3-dicarboxamide
Formula:C21 H16 F2 N2 O2
Formal charge:0
Formula weight:366.361 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-fluoranyl-~{N}1-(4-fluorophenyl)-~{N}3-(2-methylphenyl)benzene-1,3-dicarboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C21H16F2N2O2/c1-13-5-2-3-8-18(13)25-21(27)17-7-4-6-16(19(17)23)20(26)24-15-11-9-14(22)10-12-15/h2-12H,1H3,(H,24,26)(H,25,27)
InChIKeyInChI1.03SMISTEYAZXJEGY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1ccccc1NC(=O)c2cccc(C(=O)Nc3ccc(F)cc3)c2F
SMILESCACTVS3.385Cc1ccccc1NC(=O)c2cccc(C(=O)Nc3ccc(F)cc3)c2F
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1ccccc1NC(=O)c2cccc(c2F)C(=O)Nc3ccc(cc3)F
SMILESOpenEye OEToolkits2.0.7Cc1ccccc1NC(=O)c2cccc(c2F)C(=O)Nc3ccc(cc3)F

227344

PDB entries from 2024-11-13

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