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

C18H14ClNO2 — CID 67046692

IUPAC3-(4-chlorophenyl)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione
SMILESCc1cccc(N2C(=O)C=C(c3ccc(Cl)cc3)C2=O)c1C
InChIInChI=1S/C18H14ClNO2/c1-11-4-3-5-16(12(11)2)20-17(21)10-15(18(20)22)13-6-8-14(19)9-7-13/h3-10H,1-2H3
InChIKeySFGUNHPIKYYXRE-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.91
Rot. Bonds2

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

3-(4-chlorophenyl)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione (PubChem CID 67046692) has the molecular formula C18H14ClNO2 and a molecular weight of 311.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione
PubChem CID67046692
Molecular FormulaC18H14ClNO2
Molecular Weight311.77 g/mol
Exact Mass311.07
IUPAC Name3-(4-chlorophenyl)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione
SMILESCc1cccc(N2C(=O)C=C(c3ccc(Cl)cc3)C2=O)c1C
InChIInChI=1S/C18H14ClNO2/c1-11-4-3-5-16(12(11)2)20-17(21)10-15(18(20)22)13-6-8-14(19)9-7-13/h3-10H,1-2H3
InChIKeySFGUNHPIKYYXRE-UHFFFAOYSA-N
XLogP3.91
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.91
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-(2,3-dimethylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(4-chlorophenyl)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione (CID 67046692) is 3-(4-chlorophenyl)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-chlorophenyl)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione is Cc1cccc(N2C(=O)C=C(c3ccc(Cl)cc3)C2=O)c1C.
What is the InChIKey of 3-(4-chlorophenyl)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione?
The InChIKey is SFGUNHPIKYYXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO2/c1-11-4-3-5-16(12(11)2)20-17(21)10-15(18(20)22)13-6-8-14(19)9-7-13/h3-10H,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione?
3-(4-chlorophenyl)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione has a molecular weight of 311.77 g/mol, XLogP of 3.91, 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-(2,3-dimethylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 67046692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).