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AAA

Summary
Name:(2-ACETYL-5-METHYLANILINO)(2,6-DIBROMOPHENYL)ACETAMIDE
Formula:C17 H16 Br2 N2 O2
Formal charge:0
Formula weight:440.129 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2S)-2-[(2-acetyl-5-methylphenyl)amino]-2-(2,6-dibromophenyl)ethanamide
OpenEye OEToolkits1.5.0(2S)-2-(2,6-dibromophenyl)-2-[(2-ethanoyl-5-methyl-phenyl)amino]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Brc1cccc(Br)c1C(Nc2cc(ccc2C(=O)C)C)C(=O)N
SMILES_CANONICALCACTVS3.341CC(=O)c1ccc(C)cc1N[C@H](C(N)=O)c2c(Br)cccc2Br
SMILESCACTVS3.341CC(=O)c1ccc(C)cc1N[CH](C(N)=O)c2c(Br)cccc2Br
SMILES_CANONICALOpenEye OEToolkits1.5.0Cc1ccc(c(c1)N[C@@H](c2c(cccc2Br)Br)C(=O)N)C(=O)C
SMILESOpenEye OEToolkits1.5.0Cc1ccc(c(c1)NC(c2c(cccc2Br)Br)C(=O)N)C(=O)C
InChIInChI1.03InChI=1S/C17H16Br2N2O2/c1-9-6-7-11(10(2)22)14(8-9)21-16(17(20)23)15-12(18)4-3-5-13(15)19/h3-8,16,21H,1-2H3,(H2,20,23)/t16-/m0/s1
InChIKeyInChI1.03FELUFXCUIYHAPB-INIZCTEOSA-N

222415

数据于2024-07-10公开中

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