1-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)pyrrole-2,5-dione

C16H8ClF2NO2 — CID 24955267

IUPAC1-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)pyrrole-2,5-dione
SMILESO=C1C=C(c2ccccc2F)C(=O)N1c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H8ClF2NO2/c17-12-7-9(5-6-14(12)19)20-15(21)8-11(16(20)22)10-3-1-2-4-13(10)18/h1-8H
InChIKeyWYXVUMSIUPVTLE-UHFFFAOYSA-N
MW319.69 g/mol
LogP3.58
Rot. Bonds2

About 1-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)pyrrole-2,5-dione

1-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)pyrrole-2,5-dione (PubChem CID 24955267) has the molecular formula C16H8ClF2NO2 and a molecular weight of 319.69 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)pyrrole-2,5-dione
PubChem CID24955267
Molecular FormulaC16H8ClF2NO2
Molecular Weight319.69 g/mol
Exact Mass319.02
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)pyrrole-2,5-dione
SMILESO=C1C=C(c2ccccc2F)C(=O)N1c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H8ClF2NO2/c17-12-7-9(5-6-14(12)19)20-15(21)8-11(16(20)22)10-3-1-2-4-13(10)18/h1-8H
InChIKeyWYXVUMSIUPVTLE-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 1-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)pyrrole-2,5-dione (CID 24955267) is 1-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)pyrrole-2,5-dione is O=C1C=C(c2ccccc2F)C(=O)N1c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)pyrrole-2,5-dione?
The InChIKey is WYXVUMSIUPVTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClF2NO2/c17-12-7-9(5-6-14(12)19)20-15(21)8-11(16(20)22)10-3-1-2-4-13(10)18/h1-8H.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)pyrrole-2,5-dione?
1-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)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 1-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 24955267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).