1-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione

C24H18Cl2N2O3 — CID 110558315

IUPAC1-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione
SMILESCOc1ccc(C2=C(N(C)c3ccccc3)C(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1
InChIInChI=1S/C24H18Cl2N2O3/c1-27(16-7-4-3-5-8-16)22-20(15-11-13-17(31-2)14-12-15)23(29)28(24(22)30)19-10-6-9-18(25)21(19)26/h3-14H,1-2H3
InChIKeyOLMHRLLMTNSXIF-UHFFFAOYSA-N
MW453.33 g/mol
LogP5.42
Rot. Bonds5

About 1-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione

1-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione (PubChem CID 110558315) has the molecular formula C24H18Cl2N2O3 and a molecular weight of 453.33 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione
PubChem CID110558315
Molecular FormulaC24H18Cl2N2O3
Molecular Weight453.33 g/mol
Exact Mass452.07
IUPAC Name1-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione
SMILESCOc1ccc(C2=C(N(C)c3ccccc3)C(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1
InChIInChI=1S/C24H18Cl2N2O3/c1-27(16-7-4-3-5-8-16)22-20(15-11-13-17(31-2)14-12-15)23(29)28(24(22)30)19-10-6-9-18(25)21(19)26/h3-14H,1-2H3
InChIKeyOLMHRLLMTNSXIF-UHFFFAOYSA-N
XLogP5.42
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.33
LogP ≤ 55.42
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-(4-chlorophenyl)-4-(N-methylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110571328
3-(N-methylanilino)-1-naphthalen-1-yl-4-phenylpyrrole-2,5-dione
CID 110561422
3-(N-methylanilino)-4-(4-methylphenyl)-1-naphthalen-1-ylpyrrole-2,5-dione
CID 110574208
3-chloro-1-(2-chlorophenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110583260
1-(2,3-dichlorophenyl)-3-[2-hydroxyethyl(methyl)amino]-4-phenylpyrrole-2,5-dione
CID 110562231
1-(5-chloro-2-methoxyphenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110574357
3-(4-methoxyphenyl)-4-(N-methylanilino)-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110555615
N-[4-[1-(2-methoxyphenyl)-4-(N-methylanilino)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563580
1-(2-fluorophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573548
1-[(4-methoxyphenyl)methyl]-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 53254380
3-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110568709
1-(3-methoxyphenyl)-3-(N-methylanilino)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110576319

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione (CID 110558315) is 1-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione is COc1ccc(C2=C(N(C)c3ccccc3)C(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione?
The InChIKey is OLMHRLLMTNSXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N2O3/c1-27(16-7-4-3-5-8-16)22-20(15-11-13-17(31-2)14-12-15)23(29)28(24(22)30)19-10-6-9-18(25)21(19)26/h3-14H,1-2H3.
What are the key properties of 1-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione?
1-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione has a molecular weight of 453.33 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione is sourced from PubChem (CID 110558315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).