392
Summary
| Name: | 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(2-hydroxyphenyl)urea |
| Formula: | C17 H19 Cl2 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 368.258 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(2-hydroxyphenyl)urea |
| OpenEye OEToolkits | 1.7.2 | 1-[3-[[3,5-bis(chloranyl)phenyl]methylamino]propyl]-3-(2-hydroxyphenyl)urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cc(cc(Cl)c1)CNCCCNC(=O)Nc2ccccc2O |
| InChI | InChI | 1.03 | InChI=1S/C17H19Cl2N3O2/c18-13-8-12(9-14(19)10-13)11-20-6-3-7-21-17(24)22-15-4-1-2-5-16(15)23/h1-2,4-5,8-10,20,23H,3,6-7,11H2,(H2,21,22,24) |
| InChIKey | InChI | 1.03 | ZTLHNGCVRZQIRX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Oc1ccccc1NC(=O)NCCCNCc2cc(Cl)cc(Cl)c2 |
| SMILES | CACTVS | 3.370 | Oc1ccccc1NC(=O)NCCCNCc2cc(Cl)cc(Cl)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccc(c(c1)NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc(c(c1)NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl)O |
