WUU
N-[(2,4-dichlorophenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
Created: | 2023-10-13 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 39 |
Chiral Atom Count | 0 |
Bond Count | 41 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | N-[(2,4-dichlorophenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide |
Systematic Name (OpenEye OEToolkits) | 4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-~{N}-[(2,4-dichlorophenyl)methyl]benzamide |
Formula | C18 H14 Cl2 N2 O3 |
Molecular Weight | 377.221 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1ccc(CNC(=O)c2ccc(cc2)N2C(=O)CCC2=O)c(Cl)c1 |
SMILES | CACTVS | 3.385 | Clc1ccc(CNC(=O)c2ccc(cc2)N3C(=O)CCC3=O)c(Cl)c1 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(=O)NCc2ccc(cc2Cl)Cl)N3C(=O)CCC3=O |
Canonical SMILES | CACTVS | 3.385 | Clc1ccc(CNC(=O)c2ccc(cc2)N3C(=O)CCC3=O)c(Cl)c1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(=O)NCc2ccc(cc2Cl)Cl)N3C(=O)CCC3=O |
InChI | InChI | 1.06 | InChI=1S/C18H14Cl2N2O3/c19-13-4-1-12(15(20)9-13)10-21-18(25)11-2-5-14(6-3-11)22-16(23)7-8-17(22)24/h1-6,9H,7-8,10H2,(H,21,25) |
InChIKey | InChI | 1.06 | YIKFWSGXLMFIFN-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 4825504 |