3-(4-chloroanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione

C16H12ClFN2O2 — CID 19163739

IUPAC3-(4-chloroanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccc(Cl)cc2)C(=O)N1c1ccccc1F
InChIInChI=1S/C16H12ClFN2O2/c17-10-5-7-11(8-6-10)19-13-9-15(21)20(16(13)22)14-4-2-1-3-12(14)18/h1-8,13,19H,9H2
InChIKeyVLUQINKMOLUBPD-UHFFFAOYSA-N
MW318.74 g/mol
LogP3.22
Rot. Bonds3

About 3-(4-chloroanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione

3-(4-chloroanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione (PubChem CID 19163739) has the molecular formula C16H12ClFN2O2 and a molecular weight of 318.74 g/mol. Its IUPAC name is 3-(4-chloroanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-chloroanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione
PubChem CID19163739
Molecular FormulaC16H12ClFN2O2
Molecular Weight318.74 g/mol
Exact Mass318.06
IUPAC Name3-(4-chloroanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccc(Cl)cc2)C(=O)N1c1ccccc1F
InChIInChI=1S/C16H12ClFN2O2/c17-10-5-7-11(8-6-10)19-13-9-15(21)20(16(13)22)14-4-2-1-3-12(14)18/h1-8,13,19H,9H2
InChIKeyVLUQINKMOLUBPD-UHFFFAOYSA-N
XLogP3.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.74
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloroanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(4-chloroanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione (CID 19163739) is 3-(4-chloroanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-chloroanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-chloroanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione is O=C1CC(Nc2ccc(Cl)cc2)C(=O)N1c1ccccc1F.
What is the InChIKey of 3-(4-chloroanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione?
The InChIKey is VLUQINKMOLUBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O2/c17-10-5-7-11(8-6-10)19-13-9-15(21)20(16(13)22)14-4-2-1-3-12(14)18/h1-8,13,19H,9H2.
What are the key properties of 3-(4-chloroanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione?
3-(4-chloroanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione has a molecular weight of 318.74 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloroanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 19163739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).