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C13

Summary
Name:1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-phenylurea
Formula:C17 H19 Cl2 N3 O
Formal charge:0
Formula weight:352.258 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-phenylurea
OpenEye OEToolkits1.7.21-[3-[[3,5-bis(chloranyl)phenyl]methylamino]propyl]-3-phenyl-urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1cc(cc(Cl)c1)CNCCCNC(=O)Nc2ccccc2
InChIInChI1.03InChI=1S/C17H19Cl2N3O/c18-14-9-13(10-15(19)11-14)12-20-7-4-8-21-17(23)22-16-5-2-1-3-6-16/h1-3,5-6,9-11,20H,4,7-8,12H2,(H2,21,22,23)
InChIKeyInChI1.03FFIHIYODYIKHMJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370Clc1cc(Cl)cc(CNCCCNC(=O)Nc2ccccc2)c1
SMILESCACTVS3.370Clc1cc(Cl)cc(CNCCCNC(=O)Nc2ccccc2)c1
SMILES_CANONICALOpenEye OEToolkits1.7.2c1ccc(cc1)NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl
SMILESOpenEye OEToolkits1.7.2c1ccc(cc1)NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl

218500

PDB entries from 2024-04-17

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