Chlorproguanil

C₁₁H₁₅Cl₂N₅ — CID 22323

About Chlorproguanil

Chlorproguanil (PubChem CID 22323) has the molecular formula C₁₁H₁₅Cl₂N₅ and a molecular weight of 288.18 g/mol. Its IUPAC name is 1-[amino-(3,4-dichloroanilino)methylidene]-2-propan-2-ylguanidine.

Molecular Properties

• Compound Name: Chlorproguanil
• PubChem CID: 22323
• Molecular Formula: C₁₁H₁₅Cl₂N₅
• Molecular Weight: 288.18 g/mol
• Exact Mass: 287.07
• IUPAC Name: 1-[amino-(3,4-dichloroanilino)methylidene]-2-propan-2-ylguanidine
• SMILES: CC(C)/N=C(\N)N=C(N)Nc1ccc(Cl)c(Cl)c1
• InChI: InChI=1S/C11H15Cl2N5/c1-6(2)16-10(14)18-11(15)17-7-3-4-8(12)9(13)5-7/h3-6H,1-2H3,(H5,14,15,16,17,18)
• InChIKey: ISZNZKHCRKXXAU-UHFFFAOYSA-N
• XLogP: 2.44
• TPSA: 88.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	288.18
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Chlorproguanil?

The IUPAC name of Chlorproguanil (CID 22323) is 1-[amino-(3,4-dichloroanilino)methylidene]-2-propan-2-ylguanidine.

What is the SMILES notation for Chlorproguanil?

The canonical SMILES for Chlorproguanil is CC(C)/N=C(\N)N=C(N)Nc1ccc(Cl)c(Cl)c1.

What is the InChIKey of Chlorproguanil?

The InChIKey is ISZNZKHCRKXXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N5/c1-6(2)16-10(14)18-11(15)17-7-3-4-8(12)9(13)5-7/h3-6H,1-2H3,(H5,14,15,16,17,18).

What are the key properties of Chlorproguanil?

Chlorproguanil has a molecular weight of 288.18 g/mol, XLogP of 2.44, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Chlorproguanil is sourced from PubChem (CID 22323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 22323 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 620 — approved-drug record (CC BY-SA 4.0)

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