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5F4

Summary
Name:4-(2,6-dichlorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide
Formula:C13 H10 Cl2 N2 O2
Formal charge:0
Formula weight:297.137 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-(2,6-dichlorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide
OpenEye OEToolkits1.9.24-[2,6-bis(chloranyl)phenyl]carbonyl-N-methyl-1H-pyrrole-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1(cc(C(NC)=O)nc1)C(=O)c2c(cccc2Cl)Cl
InChIInChI1.03InChI=1S/C13H10Cl2N2O2/c1-16-13(19)10-5-7(6-17-10)12(18)11-8(14)3-2-4-9(11)15/h2-6,17H,1H3,(H,16,19)
InChIKeyInChI1.03IMCVPHRDALQWTJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CNC(=O)c1[nH]cc(c1)C(=O)c2c(Cl)cccc2Cl
SMILESCACTVS3.385CNC(=O)c1[nH]cc(c1)C(=O)c2c(Cl)cccc2Cl
SMILES_CANONICALOpenEye OEToolkits1.9.2CNC(=O)c1cc(c[nH]1)C(=O)c2c(cccc2Cl)Cl
SMILESOpenEye OEToolkits1.9.2CNC(=O)c1cc(c[nH]1)C(=O)c2c(cccc2Cl)Cl

224931

건을2024-09-11부터공개중

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