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- ChemComp-F6A: N-biphenyl-3-yl-2-(trifluoromethyl)benzamide -

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Basic information

EntryDatabase: PDB chemical components / ID: F6A
NameName: N-biphenyl-3-yl-2-(trifluoromethyl)benzamide

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Chemical information

Composition
Formula: C20H14F3NO / Number of atoms: 39 / Formula weight: 341.326 / Formal charge: 0
Others

3abv

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: F6A / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3ABV
History
Create componentJan 6, 2010
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
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

CACTVS 3.352FC(F)(F)c1ccccc1C(=O)Nc2cccc(c2)c3ccccc3
OpenEye OEToolkits 1.7.0c1ccc(cc1)c2cccc(c2)NC(=O)c3ccccc3C(F)(F)F

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SMILES CANONICAL

CACTVS 3.352FC(F)(F)c1ccccc1C(=O)Nc2cccc(c2)c3ccccc3
OpenEye OEToolkits 1.7.0c1ccc(cc1)c2cccc(c2)NC(=O)c3ccccc3C(F)(F)F

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InChI

InChI 1.03InChI=1S/C20H14F3NO/c21-20(22,23)18-12-5-4-11-17(18)19(25)24-16-10-6-9-15(13-16)14-7-2-1-3-8-14/h1-13H,(H,24,25)

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InChIKey

InChI 1.03GASNDSAXXYXEMO-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 1.6.1N-(3-phenylphenyl)-2-(trifluoromethyl)benzamide

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PDB entries

Showing all 2 items

PDB-3abv:
Crystal structure of porcine heart mitochondrial complex II bound with N-Biphenyl-3-yl-2-trifluoromethyl-benzamide

PDB-4ytm:
Crystal structure of Mitochondrial rhodoquinol-fumarate reductase from Ascaris suum with N-biphenyl-3-yl-2-(trifluoromethyl)benzamide

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