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

C19H16ClNO3 — CID 110582709

IUPAC1-(4-chloro-2-methylphenyl)-3-(2,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione
SMILESCc1ccc(C2=C(O)C(=O)N(c3ccc(Cl)cc3C)C2=O)c(C)c1
InChIInChI=1S/C19H16ClNO3/c1-10-4-6-14(11(2)8-10)16-17(22)19(24)21(18(16)23)15-7-5-13(20)9-12(15)3/h4-9,22H,1-3H3
InChIKeyQJDIYQCTAZQURD-UHFFFAOYSA-N
MW341.79 g/mol
LogP4.11
Rot. Bonds2

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

1-(4-chloro-2-methylphenyl)-3-(2,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione (PubChem CID 110582709) has the molecular formula C19H16ClNO3 and a molecular weight of 341.79 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-3-(2,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-3-(2,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione
PubChem CID110582709
Molecular FormulaC19H16ClNO3
Molecular Weight341.79 g/mol
Exact Mass341.08
IUPAC Name1-(4-chloro-2-methylphenyl)-3-(2,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione
SMILESCc1ccc(C2=C(O)C(=O)N(c3ccc(Cl)cc3C)C2=O)c(C)c1
InChIInChI=1S/C19H16ClNO3/c1-10-4-6-14(11(2)8-10)16-17(22)19(24)21(18(16)23)15-7-5-13(20)9-12(15)3/h4-9,22H,1-3H3
InChIKeyQJDIYQCTAZQURD-UHFFFAOYSA-N
XLogP4.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-benzylsulfanyl-1-(4-chloro-2-methylphenyl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110580251
1-[(4-chlorophenyl)methyl]-3-(2,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione
CID 110582624
3-chloro-1-(4-chloro-2-methylphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110584265
3-(2,4-dichlorophenyl)-4-hydroxy-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110581784
3,4-dichloro-1-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 709008
1-(5-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-hydroxypyrrole-2,5-dione
CID 110581888
1-(2-chlorophenyl)-3-(2,4-dichlorophenyl)-4-hydroxypyrrole-2,5-dione
CID 110581807
1-(2,4-dimethylphenyl)-3-(4-ethoxyphenyl)-4-hydroxypyrrole-2,5-dione
CID 110583379
3-(2,4-dichlorophenyl)-1-(2,4-dimethylphenyl)-4-(3,5-dimethylpiperidin-1-yl)pyrrole-2,5-dione
CID 110568892
1,3-bis(2,4-dimethylphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110580300
3-(5-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110600066
1-(2,4-dimethylphenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582456

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-3-(2,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-3-(2,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione (CID 110582709) is 1-(4-chloro-2-methylphenyl)-3-(2,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-3-(2,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-3-(2,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione is Cc1ccc(C2=C(O)C(=O)N(c3ccc(Cl)cc3C)C2=O)c(C)c1.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-3-(2,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione?
The InChIKey is QJDIYQCTAZQURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3/c1-10-4-6-14(11(2)8-10)16-17(22)19(24)21(18(16)23)15-7-5-13(20)9-12(15)3/h4-9,22H,1-3H3.
What are the key properties of 1-(4-chloro-2-methylphenyl)-3-(2,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione?
1-(4-chloro-2-methylphenyl)-3-(2,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione has a molecular weight of 341.79 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)-3-(2,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione is sourced from PubChem (CID 110582709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).