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- ChemComp-F7A: N-(3-phenoxyphenyl)-2-(trifluoromethyl)benzamide -

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Basic information

EntryDatabase: PDB chemical components / ID: F7A
NameName: N-(3-phenoxyphenyl)-2-(trifluoromethyl)benzamide

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Chemical information

Composition
Formula: C20H14F3NO2 / Number of atoms: 40 / Formula weight: 357.326 / Formal charge: 0
Others

3aeb

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: F7A / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3AEB
History
Create componentFeb 22, 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(Oc3ccccc3)c2
OpenEye OEToolkits 1.7.0c1ccc(cc1)Oc2cccc(c2)NC(=O)c3ccccc3C(F)(F)F

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SMILES CANONICAL

CACTVS 3.352FC(F)(F)c1ccccc1C(=O)Nc2cccc(Oc3ccccc3)c2
OpenEye OEToolkits 1.7.0c1ccc(cc1)Oc2cccc(c2)NC(=O)c3ccccc3C(F)(F)F

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InChI

InChI 1.03InChI=1S/C20H14F3NO2/c21-20(22,23)18-12-5-4-11-17(18)19(25)24-14-7-6-10-16(13-14)26-15-8-2-1-3-9-15/h1-13H,(H,24,25)

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InChIKey

InChI 1.03DPQMGAHMROSIOB-UHFFFAOYSA-N

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SYSTEMATIC NAME

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

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PDB entries

Showing all 1 items

PDB-3aeb:
Crystal structure of porcine heart mitochondrial complex II bound with N-(3-Phenoxy-phenyl)-2-trifluoromethyl-benzamide

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