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- ChemComp-FTN: N-[3-(1-methylethoxy)phenyl]-2-(trifluoromethyl)benzamide -

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Basic information

EntryDatabase: PDB chemical components / ID: FTN
NameName: N-[3-(1-methylethoxy)phenyl]-2-(trifluoromethyl)benzamide
Synonyms: flutolanil; N-(3-Isopropoxy-phenyl)-2-trifluoromethylbenzamide

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Chemical information

Composition
Formula: C17H16F3NO2 / Number of atoms: 39 / Formula weight: 323.31 / Formal charge: 0
Others

3ae8

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: FTN / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3AE8
History
Create componentFeb 19, 2010
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
Modify synonymsMay 26, 2015
Modify synonymsMar 13, 2021
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / KEGG_Ligand / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / 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 3.352CC(C)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1
OpenEye OEToolkits 1.7.0CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F

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SMILES CANONICAL

CACTVS 3.352CC(C)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1
OpenEye OEToolkits 1.7.0CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F

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InChI

InChI 1.03InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)

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InChIKey

InChI 1.03PTCGDEVVHUXTMP-UHFFFAOYSA-N

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PDB entries

Showing all 5 items

PDB-3ae8:
Crystal structure of porcine heart mitochondrial complex II bound with N-(3-Isopropoxy-phenyl)-2-trifluoromethylbenzamide

PDB-3vr9:
Mitochondrial rhodoquinol-fumarate reductase from the parasitic nematode Ascaris suum with the specific inhibitor flutolanil

PDB-3vrb:
Mitochondrial rhodoquinol-fumarate reductase from the parasitic nematode Ascaris suum with the specific inhibitor flutolanil and substrate fumarate

PDB-4yxd:
CRYSTAL STRUCTURE OF PORCINE HEART MITOCHONDRIAL COMPLEX II BOUND WITH flutolanil

PDB-6myo:
Avian mitochondrial complex II with flutolanyl bound

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