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

C20H18ClNO4 — CID 110583763

IUPAC3-chloro-4-(3,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(C2=C(Cl)C(=O)N(c3ccc(C)cc3C)C2=O)cc1OC
InChIInChI=1S/C20H18ClNO4/c1-11-5-7-14(12(2)9-11)22-19(23)17(18(21)20(22)24)13-6-8-15(25-3)16(10-13)26-4/h5-10H,1-4H3
InChIKeyXTESJVMSCFTVLI-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.84
Rot. Bonds4

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

3-chloro-4-(3,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrrole-2,5-dione (PubChem CID 110583763) has the molecular formula C20H18ClNO4 and a molecular weight of 371.82 g/mol. Its IUPAC name is 3-chloro-4-(3,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-(3,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrrole-2,5-dione
PubChem CID110583763
Molecular FormulaC20H18ClNO4
Molecular Weight371.82 g/mol
Exact Mass371.09
IUPAC Name3-chloro-4-(3,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(C2=C(Cl)C(=O)N(c3ccc(C)cc3C)C2=O)cc1OC
InChIInChI=1S/C20H18ClNO4/c1-11-5-7-14(12(2)9-11)22-19(23)17(18(21)20(22)24)13-6-8-15(25-3)16(10-13)26-4/h5-10H,1-4H3
InChIKeyXTESJVMSCFTVLI-UHFFFAOYSA-N
XLogP3.84
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-1-(4-chloro-2-methylphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110584265
3-chloro-1-(2,4-dimethylphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110584537
3,4-dichloro-1-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 709008
N-[4-[4-chloro-1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110583632
1-(5-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-4-hydroxypyrrole-2,5-dione
CID 110581493
3-chloro-4-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110583733
3-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110564830
3-chloro-1-(2,4-dimethylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110583116
3-chloro-1-(4-iodo-2-methylphenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110583908
3-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110564834
(5Z)-2-(4-chlorophenyl)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(2,4-dimethylphenyl)imidazol-4-one
CID 45105619
3-chloro-1-(2,4-dimethylphenyl)-4-(4-methylanilino)pyrrole-2,5-dione
CID 710569

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-4-(3,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrrole-2,5-dione (CID 110583763) is 3-chloro-4-(3,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-4-(3,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-4-(3,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrrole-2,5-dione is COc1ccc(C2=C(Cl)C(=O)N(c3ccc(C)cc3C)C2=O)cc1OC.
What is the InChIKey of 3-chloro-4-(3,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrrole-2,5-dione?
The InChIKey is XTESJVMSCFTVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO4/c1-11-5-7-14(12(2)9-11)22-19(23)17(18(21)20(22)24)13-6-8-15(25-3)16(10-13)26-4/h5-10H,1-4H3.
What are the key properties of 3-chloro-4-(3,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrrole-2,5-dione?
3-chloro-4-(3,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrrole-2,5-dione has a molecular weight of 371.82 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110583763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).