387
Summary
| Name: | 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(3-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-(3-hydroxyphenyl)urea |
| OpenEye OEToolkits | 1.7.2 | 1-[3-[[3,5-bis(chloranyl)phenyl]methylamino]propyl]-3-(3-hydroxyphenyl)urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cc(cc(Cl)c1)CNCCCNC(=O)Nc2cccc(O)c2 |
| InChI | InChI | 1.03 | InChI=1S/C17H19Cl2N3O2/c18-13-7-12(8-14(19)9-13)11-20-5-2-6-21-17(24)22-15-3-1-4-16(23)10-15/h1,3-4,7-10,20,23H,2,5-6,11H2,(H2,21,22,24) |
| InChIKey | InChI | 1.03 | GNDFIQUTHVHDAI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Oc1cccc(NC(=O)NCCCNCc2cc(Cl)cc(Cl)c2)c1 |
| SMILES | CACTVS | 3.370 | Oc1cccc(NC(=O)NCCCNCc2cc(Cl)cc(Cl)c2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1cc(cc(c1)O)NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1cc(cc(c1)O)NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl |
