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- ChemComp-E24: N-(2,4-dichlorobenzyl)-2-(trifluoromethyl)benzamide -

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Basic information

EntryDatabase: PDB chemical components / ID: E24
NameName: N-(2,4-dichlorobenzyl)-2-(trifluoromethyl)benzamide

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Chemical information

Composition
Formula: C15H10Cl2F3NO / Number of atoms: 32 / Formula weight: 348.147 / Formal charge: 0
Others

4ysy

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: E24 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4YSY
History
Create componentApr 8, 2015
Initial releaseAug 5, 2015
External linksUniChem / ChemSpider / PubChem / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01Clc1c(ccc(c1)Cl)CNC(=O)c2c(cccc2)C(F)(F)F
CACTVS 3.385FC(F)(F)c1ccccc1C(=O)NCc2ccc(Cl)cc2Cl
OpenEye OEToolkits 1.9.2c1ccc(c(c1)C(=O)NCc2ccc(cc2Cl)Cl)C(F)(F)F

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SMILES CANONICAL

CACTVS 3.385FC(F)(F)c1ccccc1C(=O)NCc2ccc(Cl)cc2Cl
OpenEye OEToolkits 1.9.2c1ccc(c(c1)C(=O)NCc2ccc(cc2Cl)Cl)C(F)(F)F

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InChI

InChI 1.03InChI=1S/C15H10Cl2F3NO/c16-10-6-5-9(13(17)7-10)8-21-14(22)11-3-1-2-4-12(11)15(18,19)20/h1-7H,8H2,(H,21,22)

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InChIKey

InChI 1.03JPTXMUZNWHRWNU-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-(2,4-dichlorobenzyl)-2-(trifluoromethyl)benzamide
OpenEye OEToolkits 1.9.2N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)benzamide

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PDB entries

Showing all 1 items

PDB-4ysy:
Crystal structure of Mitochondrial rhodoquinol-fumarate reductase from Ascaris suum with N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)benzamide

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