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A1BYC

Summary
Name:4-{[(5-bromo-2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione
Formula:C15 H11 Br N2 O3
Formal charge:0
Formula weight:347.163 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.524-{[(5-bromo-2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione
OpenEye OEToolkits3.1.0.04-[(5-bromanyl-2-oxidanyl-phenyl)methylamino]isoindole-1,3-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Brc1cc(CNc2cccc3C(=O)NC(=O)c32)c(O)cc1
InChIInChI1.06InChI=1S/C15H11BrN2O3/c16-9-4-5-12(19)8(6-9)7-17-11-3-1-2-10-13(11)15(21)18-14(10)20/h1-6,17,19H,7H2,(H,18,20,21)
InChIKeyInChI1.06ICZMDDCYEUQOMT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1ccc(Br)cc1CNc2cccc3C(=O)NC(=O)c23
SMILESCACTVS3.385Oc1ccc(Br)cc1CNc2cccc3C(=O)NC(=O)c23
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc2c(c(c1)NCc3cc(ccc3O)Br)C(=O)NC2=O
SMILESOpenEye OEToolkits3.1.0.0c1cc2c(c(c1)NCc3cc(ccc3O)Br)C(=O)NC2=O

249697

PDB entries from 2026-02-25

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