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SummaryGeometryRelated PDB entries

H2M

Summary
Name:1-[3'-(trifluoromethyl)[1,1'-biphenyl]-2-yl]-1,3-dihydro-2H-pyrrol-2-one
Formula:C17 H12 F3 N O
Formal charge:0
Formula weight:303.278 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-[3'-(trifluoromethyl)[1,1'-biphenyl]-2-yl]-1,3-dihydro-2H-pyrrol-2-one
OpenEye OEToolkits2.0.61-[2-[3-(trifluoromethyl)phenyl]phenyl]-3~{H}-pyrrol-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c2(N1C(=O)CC=C1)ccccc2c3cccc(c3)C(F)(F)F
InChIInChI1.03InChI=1S/C17H12F3NO/c18-17(19,20)13-6-3-5-12(11-13)14-7-1-2-8-15(14)21-10-4-9-16(21)22/h1-8,10-11H,9H2
InChIKeyInChI1.03AIIYIYPODZMVSU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385FC(F)(F)c1cccc(c1)c2ccccc2N3C=CCC3=O
SMILESCACTVS3.385FC(F)(F)c1cccc(c1)c2ccccc2N3C=CCC3=O
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(c(c1)c2cccc(c2)C(F)(F)F)N3C=CCC3=O
SMILESOpenEye OEToolkits2.0.6c1ccc(c(c1)c2cccc(c2)C(F)(F)F)N3C=CCC3=O

226707

PDB entries from 2024-10-30

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