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A1DNW

Summary
Name:(2R)-N-(2,4-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Formula:C15 H11 F2 N O3
Formal charge:0
Formula weight:291.25 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(2R)-N-(2,4-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
OpenEye OEToolkits3.1.0.0(3~{R})-~{N}-[2,4-bis(fluoranyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Fc1ccc(NC(=O)C2COc3ccccc3O2)c(F)c1
InChIInChI1.06InChI=1S/C15H11F2NO3/c16-9-5-6-11(10(17)7-9)18-15(19)14-8-20-12-3-1-2-4-13(12)21-14/h1-7,14H,8H2,(H,18,19)/t14-/m1/s1
InChIKeyInChI1.06AZJVVCUAKHRTHR-CQSZACIVSA-N
SMILES_CANONICALCACTVS3.385Fc1ccc(NC(=O)[C@H]2COc3ccccc3O2)c(F)c1
SMILESCACTVS3.385Fc1ccc(NC(=O)[CH]2COc3ccccc3O2)c(F)c1
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1ccc2c(c1)OC[C@@H](O2)C(=O)Nc3ccc(cc3F)F
SMILESOpenEye OEToolkits3.1.0.0c1ccc2c(c1)OCC(O2)C(=O)Nc3ccc(cc3F)F

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PDB entries from 2026-08-05

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