3-chloro-1-(3,4-dichlorophenyl)-4-phenylpyrrole-2,5-dione

C16H8Cl3NO2 — CID 71547136

IUPAC3-chloro-1-(3,4-dichlorophenyl)-4-phenylpyrrole-2,5-dione
SMILESO=C1C(Cl)=C(c2ccccc2)C(=O)N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H8Cl3NO2/c17-11-7-6-10(8-12(11)18)20-15(21)13(14(19)16(20)22)9-4-2-1-3-5-9/h1-8H
InChIKeyRONMYAFEDUQUDG-UHFFFAOYSA-N
MW352.60 g/mol
LogP4.52
Rot. Bonds2

About 3-chloro-1-(3,4-dichlorophenyl)-4-phenylpyrrole-2,5-dione

3-chloro-1-(3,4-dichlorophenyl)-4-phenylpyrrole-2,5-dione (PubChem CID 71547136) has the molecular formula C16H8Cl3NO2 and a molecular weight of 352.60 g/mol. Its IUPAC name is 3-chloro-1-(3,4-dichlorophenyl)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-1-(3,4-dichlorophenyl)-4-phenylpyrrole-2,5-dione
PubChem CID71547136
Molecular FormulaC16H8Cl3NO2
Molecular Weight352.60 g/mol
Exact Mass350.96
IUPAC Name3-chloro-1-(3,4-dichlorophenyl)-4-phenylpyrrole-2,5-dione
SMILESO=C1C(Cl)=C(c2ccccc2)C(=O)N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H8Cl3NO2/c17-11-7-6-10(8-12(11)18)20-15(21)13(14(19)16(20)22)9-4-2-1-3-5-9/h1-8H
InChIKeyRONMYAFEDUQUDG-UHFFFAOYSA-N
XLogP4.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.60
LogP ≤ 54.52
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-chloro-1-(3,4-dichlorophenyl)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 3-chloro-1-(3,4-dichlorophenyl)-4-phenylpyrrole-2,5-dione (CID 71547136) is 3-chloro-1-(3,4-dichlorophenyl)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-1-(3,4-dichlorophenyl)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-chloro-1-(3,4-dichlorophenyl)-4-phenylpyrrole-2,5-dione is O=C1C(Cl)=C(c2ccccc2)C(=O)N1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-chloro-1-(3,4-dichlorophenyl)-4-phenylpyrrole-2,5-dione?
The InChIKey is RONMYAFEDUQUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl3NO2/c17-11-7-6-10(8-12(11)18)20-15(21)13(14(19)16(20)22)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 3-chloro-1-(3,4-dichlorophenyl)-4-phenylpyrrole-2,5-dione?
3-chloro-1-(3,4-dichlorophenyl)-4-phenylpyrrole-2,5-dione has a molecular weight of 352.60 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(3,4-dichlorophenyl)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 71547136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).