3-(4-chlorophenyl)-1-(3,4-difluorophenyl)pyrrole-2,5-dione

C16H8ClF2NO2 — CID 24952429

IUPAC3-(4-chlorophenyl)-1-(3,4-difluorophenyl)pyrrole-2,5-dione
SMILESO=C1C=C(c2ccc(Cl)cc2)C(=O)N1c1ccc(F)c(F)c1
InChIInChI=1S/C16H8ClF2NO2/c17-10-3-1-9(2-4-10)12-8-15(21)20(16(12)22)11-5-6-13(18)14(19)7-11/h1-8H
InChIKeyZPYGOANHZNTWIX-UHFFFAOYSA-N
MW319.69 g/mol
LogP3.58
Rot. Bonds2

About 3-(4-chlorophenyl)-1-(3,4-difluorophenyl)pyrrole-2,5-dione

3-(4-chlorophenyl)-1-(3,4-difluorophenyl)pyrrole-2,5-dione (PubChem CID 24952429) has the molecular formula C16H8ClF2NO2 and a molecular weight of 319.69 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(3,4-difluorophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(3,4-difluorophenyl)pyrrole-2,5-dione
PubChem CID24952429
Molecular FormulaC16H8ClF2NO2
Molecular Weight319.69 g/mol
Exact Mass319.02
IUPAC Name3-(4-chlorophenyl)-1-(3,4-difluorophenyl)pyrrole-2,5-dione
SMILESO=C1C=C(c2ccc(Cl)cc2)C(=O)N1c1ccc(F)c(F)c1
InChIInChI=1S/C16H8ClF2NO2/c17-10-3-1-9(2-4-10)12-8-15(21)20(16(12)22)11-5-6-13(18)14(19)7-11/h1-8H
InChIKeyZPYGOANHZNTWIX-UHFFFAOYSA-N
XLogP3.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.69
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-chlorophenyl)-1-(3,4-difluorophenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(4-chlorophenyl)-1-(3,4-difluorophenyl)pyrrole-2,5-dione (CID 24952429) is 3-(4-chlorophenyl)-1-(3,4-difluorophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(3,4-difluorophenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-chlorophenyl)-1-(3,4-difluorophenyl)pyrrole-2,5-dione is O=C1C=C(c2ccc(Cl)cc2)C(=O)N1c1ccc(F)c(F)c1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(3,4-difluorophenyl)pyrrole-2,5-dione?
The InChIKey is ZPYGOANHZNTWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClF2NO2/c17-10-3-1-9(2-4-10)12-8-15(21)20(16(12)22)11-5-6-13(18)14(19)7-11/h1-8H.
What are the key properties of 3-(4-chlorophenyl)-1-(3,4-difluorophenyl)pyrrole-2,5-dione?
3-(4-chlorophenyl)-1-(3,4-difluorophenyl)pyrrole-2,5-dione has a molecular weight of 319.69 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(3,4-difluorophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 24952429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).