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

C18H13Cl2NO2 — CID 110584265

IUPAC3-chloro-1-(4-chloro-2-methylphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(Cl)C(=O)N(c3ccc(Cl)cc3C)C2=O)cc1
InChIInChI=1S/C18H13Cl2NO2/c1-10-3-5-12(6-4-10)15-16(20)18(23)21(17(15)22)14-8-7-13(19)9-11(14)2/h3-9H,1-2H3
InChIKeyODQRACHDOLNFHR-UHFFFAOYSA-N
MW346.21 g/mol
LogP4.48
Rot. Bonds2

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

3-chloro-1-(4-chloro-2-methylphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione (PubChem CID 110584265) has the molecular formula C18H13Cl2NO2 and a molecular weight of 346.21 g/mol. Its IUPAC name is 3-chloro-1-(4-chloro-2-methylphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-1-(4-chloro-2-methylphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
PubChem CID110584265
Molecular FormulaC18H13Cl2NO2
Molecular Weight346.21 g/mol
Exact Mass345.03
IUPAC Name3-chloro-1-(4-chloro-2-methylphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(Cl)C(=O)N(c3ccc(Cl)cc3C)C2=O)cc1
InChIInChI=1S/C18H13Cl2NO2/c1-10-3-5-12(6-4-10)15-16(20)18(23)21(17(15)22)14-8-7-13(19)9-11(14)2/h3-9H,1-2H3
InChIKeyODQRACHDOLNFHR-UHFFFAOYSA-N
XLogP4.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 54.48
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-chloro-1-(2,4-dimethylphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110584537
3-chloro-4-(3,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110583763
3,4-dichloro-1-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 709008
3-chloro-1-(3,4-difluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110584277
1-(4-chloro-2-methylphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110574407
3-(5-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110600066
1-(4-chloro-2-methylphenyl)-3-(2,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione
CID 110582709
1-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110571188
3-chloro-4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110584110
3-chloro-4-(4-fluorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110580877
1-(4-chloro-2-methylphenyl)-3-(4-fluorophenyl)-4-propan-2-ylsulfanylpyrrole-2,5-dione
CID 110545694
1-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)pyrrole-2,5-dione
CID 110571175

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(4-chloro-2-methylphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-1-(4-chloro-2-methylphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione (CID 110584265) is 3-chloro-1-(4-chloro-2-methylphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-1-(4-chloro-2-methylphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-1-(4-chloro-2-methylphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione is Cc1ccc(C2=C(Cl)C(=O)N(c3ccc(Cl)cc3C)C2=O)cc1.
What is the InChIKey of 3-chloro-1-(4-chloro-2-methylphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione?
The InChIKey is ODQRACHDOLNFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO2/c1-10-3-5-12(6-4-10)15-16(20)18(23)21(17(15)22)14-8-7-13(19)9-11(14)2/h3-9H,1-2H3.
What are the key properties of 3-chloro-1-(4-chloro-2-methylphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione?
3-chloro-1-(4-chloro-2-methylphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione has a molecular weight of 346.21 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(4-chloro-2-methylphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110584265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).