(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrol-3-yl]methanone

C₁₇H₁₁ClF₂N₂O — CID 175550278

About (3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrol-3-yl]methanone

(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrol-3-yl]methanone (PubChem CID 175550278) has the molecular formula C₁₇H₁₁ClF₂N₂O and a molecular weight of 332.74 g/mol. Its IUPAC name is (3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrol-3-yl]methanone.

Molecular Properties

• Compound Name: (3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrol-3-yl]methanone
• PubChem CID: 175550278
• Molecular Formula: C₁₇H₁₁ClF₂N₂O
• Molecular Weight: 332.74 g/mol
• Exact Mass: 332.05
• IUPAC Name: (3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrol-3-yl]methanone
• SMILES: Nc1ccc(F)c(C(=O)c2c[nH]c(-c3ccc(Cl)cc3)c2)c1F
• InChI: InChI=1S/C17H11ClF2N2O/c18-11-3-1-9(2-4-11)14-7-10(8-22-14)17(23)15-12(19)5-6-13(21)16(15)20/h1-8,22H,21H2
• InChIKey: WVUJPXKBWKLQLB-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 58.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.74
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrol-3-yl]methanone?

The IUPAC name of (3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrol-3-yl]methanone (CID 175550278) is (3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrol-3-yl]methanone.

What is the SMILES notation for (3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrol-3-yl]methanone?

The canonical SMILES for (3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrol-3-yl]methanone is Nc1ccc(F)c(C(=O)c2c[nH]c(-c3ccc(Cl)cc3)c2)c1F.

What is the InChIKey of (3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrol-3-yl]methanone?

The InChIKey is WVUJPXKBWKLQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF2N2O/c18-11-3-1-9(2-4-11)14-7-10(8-22-14)17(23)15-12(19)5-6-13(21)16(15)20/h1-8,22H,21H2.

What are the key properties of (3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrol-3-yl]methanone?

(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrol-3-yl]methanone has a molecular weight of 332.74 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrol-3-yl]methanone is sourced from PubChem (CID 175550278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 175550278 — identifiers, structure, computed properties (public domain)

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