3-chloro-1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylpyrrole-2,5-dione

C15H9ClFNO2S — CID 110583053

IUPAC3-chloro-1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylpyrrole-2,5-dione
SMILESO=C1C(Cl)=C(c2cccs2)C(=O)N1Cc1ccccc1F
InChIInChI=1S/C15H9ClFNO2S/c16-13-12(11-6-3-7-21-11)14(19)18(15(13)20)8-9-4-1-2-5-10(9)17/h1-7H,8H2
InChIKeyKCPZPSBBOXUZBD-UHFFFAOYSA-N
MW321.76 g/mol
LogP3.41
Rot. Bonds3

About 3-chloro-1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylpyrrole-2,5-dione

3-chloro-1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylpyrrole-2,5-dione (PubChem CID 110583053) has the molecular formula C15H9ClFNO2S and a molecular weight of 321.76 g/mol. Its IUPAC name is 3-chloro-1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylpyrrole-2,5-dione
PubChem CID110583053
Molecular FormulaC15H9ClFNO2S
Molecular Weight321.76 g/mol
Exact Mass321.00
IUPAC Name3-chloro-1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylpyrrole-2,5-dione
SMILESO=C1C(Cl)=C(c2cccs2)C(=O)N1Cc1ccccc1F
InChIInChI=1S/C15H9ClFNO2S/c16-13-12(11-6-3-7-21-11)14(19)18(15(13)20)8-9-4-1-2-5-10(9)17/h1-7H,8H2
InChIKeyKCPZPSBBOXUZBD-UHFFFAOYSA-N
XLogP3.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 53.41
H-Bond Donors ≤ 50
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-chloro-1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylpyrrole-2,5-dione?
The IUPAC name of 3-chloro-1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylpyrrole-2,5-dione (CID 110583053) is 3-chloro-1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylpyrrole-2,5-dione?
The canonical SMILES for 3-chloro-1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylpyrrole-2,5-dione is O=C1C(Cl)=C(c2cccs2)C(=O)N1Cc1ccccc1F.
What is the InChIKey of 3-chloro-1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylpyrrole-2,5-dione?
The InChIKey is KCPZPSBBOXUZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFNO2S/c16-13-12(11-6-3-7-21-11)14(19)18(15(13)20)8-9-4-1-2-5-10(9)17/h1-7H,8H2.
What are the key properties of 3-chloro-1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylpyrrole-2,5-dione?
3-chloro-1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylpyrrole-2,5-dione has a molecular weight of 321.76 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110583053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).