Fenamistrobin

C₂₁H₂₁Cl₂N₃O₃ — CID 18366212

About Fenamistrobin

Fenamistrobin (PubChem CID 18366212) has the molecular formula C₂₁H₂₁Cl₂N₃O₃ and a molecular weight of 434.32 g/mol. Its IUPAC name is (2Z)-2-[2-[[(E)-[(E)-4-(2,6-dichlorophenyl)but-3-en-2-ylidene]amino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide.

Molecular Properties

• Compound Name: Fenamistrobin
• PubChem CID: 18366212
• Molecular Formula: C₂₁H₂₁Cl₂N₃O₃
• Molecular Weight: 434.32 g/mol
• Exact Mass: 433.10
• IUPAC Name: (2Z)-2-[2-[[(E)-[(E)-4-(2,6-dichlorophenyl)but-3-en-2-ylidene]amino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
• SMILES: CNC(=O)/C(=N\OC)c1ccccc1CO/N=C(C)/C=C/c1c(Cl)cccc1Cl
• InChI: InChI=1S/C21H21Cl2N3O3/c1-14(11-12-17-18(22)9-6-10-19(17)23)25-29-13-15-7-4-5-8-16(15)20(26-28-3)21(27)24-2/h4-12H,13H2,1-3H3,(H,24,27)/b12-11+,25-14+,26-20-
• InChIKey: RBWGTZRSEOIHFD-UHZXMWPXSA-N
• XLogP: 4.70
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.32
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Fenamistrobin?

The IUPAC name of Fenamistrobin (CID 18366212) is (2Z)-2-[2-[[(E)-[(E)-4-(2,6-dichlorophenyl)but-3-en-2-ylidene]amino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide.

What is the SMILES notation for Fenamistrobin?

The canonical SMILES for Fenamistrobin is CNC(=O)/C(=N\OC)c1ccccc1CO/N=C(C)/C=C/c1c(Cl)cccc1Cl.

What is the InChIKey of Fenamistrobin?

The InChIKey is RBWGTZRSEOIHFD-UHZXMWPXSA-N. The full InChI is InChI=1S/C21H21Cl2N3O3/c1-14(11-12-17-18(22)9-6-10-19(17)23)25-29-13-15-7-4-5-8-16(15)20(26-28-3)21(27)24-2/h4-12H,13H2,1-3H3,(H,24,27)/b12-11+,25-14+,26-20-.

What are the key properties of Fenamistrobin?

Fenamistrobin has a molecular weight of 434.32 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Fenamistrobin is sourced from PubChem (CID 18366212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 18366212 — identifiers, structure, computed properties (public domain)

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