1-(2-fluorophenyl)-3-methyl-5-[2,3,3,3-tetrachloro-1-[4-(trifluoromethyl)anilino]propyl]iminoimidazolidine-2,4-dione

C20H14Cl4F4N4O2 — CID 173439680

About 1-(2-fluorophenyl)-3-methyl-5-[2,3,3,3-tetrachloro-1-[4-(trifluoromethyl)anilino]propyl]iminoimidazolidine-2,4-dione

1-(2-fluorophenyl)-3-methyl-5-[2,3,3,3-tetrachloro-1-[4-(trifluoromethyl)anilino]propyl]iminoimidazolidine-2,4-dione (PubChem CID 173439680) has the molecular formula C20H14Cl4F4N4O2 and a molecular weight of 560.16 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-methyl-5-[2,3,3,3-tetrachloro-1-[4-(trifluoromethyl)anilino]propyl]iminoimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 1-(2-fluorophenyl)-3-methyl-5-[2,3,3,3-tetrachloro-1-[4-(trifluoromethyl)anilino]propyl]iminoimidazolidine-2,4-dione
• PubChem CID: 173439680
• Molecular Formula: C20H14Cl4F4N4O2
• Molecular Weight: 560.16 g/mol
• Exact Mass: 557.98
• IUPAC Name: 1-(2-fluorophenyl)-3-methyl-5-[2,3,3,3-tetrachloro-1-[4-(trifluoromethyl)anilino]propyl]iminoimidazolidine-2,4-dione
• SMILES: CN1C(=O)C(=NC(Nc2ccc(C(F)(F)F)cc2)C(Cl)C(Cl)(Cl)Cl)N(c2ccccc2F)C1=O
• InChI: InChI=1S/C20H14Cl4F4N4O2/c1-31-17(33)16(32(18(31)34)13-5-3-2-4-12(13)25)30-15(14(21)19(22,23)24)29-11-8-6-10(7-9-11)20(26,27)28/h2-9,14-15,29H,1H3
• InChIKey: KNHOUXXOONEKOW-UHFFFAOYSA-N
• XLogP: 6.06
• TPSA: 65.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.16
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-methyl-5-[2,3,3,3-tetrachloro-1-[4-(trifluoromethyl)anilino]propyl]iminoimidazolidine-2,4-dione?

The IUPAC name of 1-(2-fluorophenyl)-3-methyl-5-[2,3,3,3-tetrachloro-1-[4-(trifluoromethyl)anilino]propyl]iminoimidazolidine-2,4-dione (CID 173439680) is 1-(2-fluorophenyl)-3-methyl-5-[2,3,3,3-tetrachloro-1-[4-(trifluoromethyl)anilino]propyl]iminoimidazolidine-2,4-dione.

What is the SMILES notation for 1-(2-fluorophenyl)-3-methyl-5-[2,3,3,3-tetrachloro-1-[4-(trifluoromethyl)anilino]propyl]iminoimidazolidine-2,4-dione?

The canonical SMILES for 1-(2-fluorophenyl)-3-methyl-5-[2,3,3,3-tetrachloro-1-[4-(trifluoromethyl)anilino]propyl]iminoimidazolidine-2,4-dione is CN1C(=O)C(=NC(Nc2ccc(C(F)(F)F)cc2)C(Cl)C(Cl)(Cl)Cl)N(c2ccccc2F)C1=O.

What is the InChIKey of 1-(2-fluorophenyl)-3-methyl-5-[2,3,3,3-tetrachloro-1-[4-(trifluoromethyl)anilino]propyl]iminoimidazolidine-2,4-dione?

The InChIKey is KNHOUXXOONEKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl4F4N4O2/c1-31-17(33)16(32(18(31)34)13-5-3-2-4-12(13)25)30-15(14(21)19(22,23)24)29-11-8-6-10(7-9-11)20(26,27)28/h2-9,14-15,29H,1H3.

What are the key properties of 1-(2-fluorophenyl)-3-methyl-5-[2,3,3,3-tetrachloro-1-[4-(trifluoromethyl)anilino]propyl]iminoimidazolidine-2,4-dione?

1-(2-fluorophenyl)-3-methyl-5-[2,3,3,3-tetrachloro-1-[4-(trifluoromethyl)anilino]propyl]iminoimidazolidine-2,4-dione has a molecular weight of 560.16 g/mol, XLogP of 6.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-fluorophenyl)-3-methyl-5-[2,3,3,3-tetrachloro-1-[4-(trifluoromethyl)anilino]propyl]iminoimidazolidine-2,4-dione is sourced from PubChem (CID 173439680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).