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

C16H8Cl3NO2 — CID 24952066

IUPAC1-(3-chlorophenyl)-3-(3,4-dichlorophenyl)pyrrole-2,5-dione
SMILESO=C1C=C(c2ccc(Cl)c(Cl)c2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C16H8Cl3NO2/c17-10-2-1-3-11(7-10)20-15(21)8-12(16(20)22)9-4-5-13(18)14(19)6-9/h1-8H
InChIKeyVRZMVAXYJKUJEX-UHFFFAOYSA-N
MW352.60 g/mol
LogP4.60
Rot. Bonds2

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

1-(3-chlorophenyl)-3-(3,4-dichlorophenyl)pyrrole-2,5-dione (PubChem CID 24952066) has the molecular formula C16H8Cl3NO2 and a molecular weight of 352.60 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(3,4-dichlorophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(3,4-dichlorophenyl)pyrrole-2,5-dione
PubChem CID24952066
Molecular FormulaC16H8Cl3NO2
Molecular Weight352.60 g/mol
Exact Mass350.96
IUPAC Name1-(3-chlorophenyl)-3-(3,4-dichlorophenyl)pyrrole-2,5-dione
SMILESO=C1C=C(c2ccc(Cl)c(Cl)c2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C16H8Cl3NO2/c17-10-2-1-3-11(7-10)20-15(21)8-12(16(20)22)9-4-5-13(18)14(19)6-9/h1-8H
InChIKeyVRZMVAXYJKUJEX-UHFFFAOYSA-N
XLogP4.60
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 ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-1-(3,4-difluorophenyl)pyrrole-2,5-dione
CID 24952429
2-[3-(3,4-dichlorophenyl)phenyl]isoindole-1,3-dione
CID 168517614
4-(3-chlorophenyl)-1,2,4-triazole-3,5-dione
CID 15179076
1-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)pyrrole-2,5-dione
CID 24955267
3-(4-chlorophenyl)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione
CID 67046692
1,7,8,9,10,10-hexachloro-4-(3-chlorophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 3127128
1-(4-aminophenyl)-3-phenylpyrrole-2,5-dione
CID 167439134
1-(3-chloro-2-methylphenyl)-3-(3-nitrophenyl)pyrrole-2,5-dione
CID 785379
N-[4-[1-(3-chlorophenyl)-4-hydroxy-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110581375
1-(3-chlorophenyl)-3-(4-chlorophenyl)-4-ethylsulfanylpyrrole-2,5-dione
CID 110570882
(1R,2R,6R,7R)-4-(3-chlorophenyl)-8,9-bis(4-methylphenyl)-1,7-diphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione
CID 124908986
methyl 1-(3-chlorophenyl)-5-(3,4-dichlorophenyl)pyrazole-3-carboxylate
CID 1477228

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(3,4-dichlorophenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(3-chlorophenyl)-3-(3,4-dichlorophenyl)pyrrole-2,5-dione (CID 24952066) is 1-(3-chlorophenyl)-3-(3,4-dichlorophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(3,4-dichlorophenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(3-chlorophenyl)-3-(3,4-dichlorophenyl)pyrrole-2,5-dione is O=C1C=C(c2ccc(Cl)c(Cl)c2)C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(3,4-dichlorophenyl)pyrrole-2,5-dione?
The InChIKey is VRZMVAXYJKUJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl3NO2/c17-10-2-1-3-11(7-10)20-15(21)8-12(16(20)22)9-4-5-13(18)14(19)6-9/h1-8H.
What are the key properties of 1-(3-chlorophenyl)-3-(3,4-dichlorophenyl)pyrrole-2,5-dione?
1-(3-chlorophenyl)-3-(3,4-dichlorophenyl)pyrrole-2,5-dione has a molecular weight of 352.60 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(3,4-dichlorophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 24952066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).