fenpiclonil

Synonyms: "3-(2,3-Dichlorophenyl)-4-cyanopyrrole", "4-(2,3-dichlorophenyl)-1H-pyrrole-3-carbonitrile", "4-Cyano-3-(2,3-dichlorophenyl)pyrrole", "4-(2,3-Dichlorophenyl)pyrrole-3-carbonitrile", "3-(2,3-dichlorophenyl)-4-cyano-pyrrole", "Fenpicionil", "4-(2,3-dichlorphenyl)-1h-pyrrol-3-carbonitril".

Source: Fenpiclonil is a phenylpyrrole fungicide based on chemical modifications of a bacterial metabolite pyrrolnitrin.

Identifiers:

IUPAC Name: 4-(2,3-dichlorophenyl)-1H-pyrrole-3-carbonitrile
CAS Number: 74738-17-3
PubChem ID: 91724
InChiKey: FKLFBQCQQYDUAM-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C(C(=C1)Cl)Cl)C2=CNC=C2C#N

Structural Properties:

Molecular Formula: C₁₁H₆Cl₂N₂
Molecular Weight: 237.083

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 15

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3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
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Fang H, Tong WD, Branham WS, Moland CL, Dial SL, Hong HX, Xie Q, Perkins R, Owens W, Sheehan DM. 2003. Study of 202 natural, synthetic, and environmental chemicals for binding to the androgen receptor. Chem Res Toxicol 16(10):1338-1358. DOI: 10.1021/tx030011g. URL: http://pubs.acs.org/doi/abs/10.1021/tx030011g.