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

C19H16Cl2N2O2 — CID 1181998

IUPAC3-chloro-1-(3-chloro-4-methylphenyl)-4-(2,3-dimethylanilino)pyrrole-2,5-dione
SMILESCc1ccc(N2C(=O)C(Cl)=C(Nc3cccc(C)c3C)C2=O)cc1Cl
InChIInChI=1S/C19H16Cl2N2O2/c1-10-5-4-6-15(12(10)3)22-17-16(21)18(24)23(19(17)25)13-8-7-11(2)14(20)9-13/h4-9,22H,1-3H3
InChIKeyYYRDQERBQFLGQV-UHFFFAOYSA-N
MW375.26 g/mol
LogP4.70
Rot. Bonds3

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

3-chloro-1-(3-chloro-4-methylphenyl)-4-(2,3-dimethylanilino)pyrrole-2,5-dione (PubChem CID 1181998) has the molecular formula C19H16Cl2N2O2 and a molecular weight of 375.26 g/mol. Its IUPAC name is 3-chloro-1-(3-chloro-4-methylphenyl)-4-(2,3-dimethylanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-1-(3-chloro-4-methylphenyl)-4-(2,3-dimethylanilino)pyrrole-2,5-dione
PubChem CID1181998
Molecular FormulaC19H16Cl2N2O2
Molecular Weight375.26 g/mol
Exact Mass374.06
IUPAC Name3-chloro-1-(3-chloro-4-methylphenyl)-4-(2,3-dimethylanilino)pyrrole-2,5-dione
SMILESCc1ccc(N2C(=O)C(Cl)=C(Nc3cccc(C)c3C)C2=O)cc1Cl
InChIInChI=1S/C19H16Cl2N2O2/c1-10-5-4-6-15(12(10)3)22-17-16(21)18(24)23(19(17)25)13-8-7-11(2)14(20)9-13/h4-9,22H,1-3H3
InChIKeyYYRDQERBQFLGQV-UHFFFAOYSA-N
XLogP4.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.26
LogP ≤ 54.70
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-(3-chloro-2-methylanilino)-1-(3-chloro-4-methylphenyl)-4-phenylpyrrole-2,5-dione
CID 110595876
1-(3-chloro-4-fluorophenyl)-3-(2,3-dimethylanilino)-4-phenylpyrrole-2,5-dione
CID 110595486
3-(3-chloro-2-methylanilino)-1-(3-chloro-4-methylphenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598450
1-(3,4-dichlorophenyl)-3-(2,3-dimethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591751
3-chloro-4-(3-chloro-4-methylanilino)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 1033955
1-(3-chlorophenyl)-3-(4-chlorophenyl)-4-(2,3-dimethylanilino)pyrrole-2,5-dione
CID 110599929
2-[[2-[4-[[4-chloro-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]acetyl]amino]benzoic acid
CID 1408502
3-[[4-chloro-1-(3-chloro-4-fluorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-fluorophenyl)-4-methylbenzamide
CID 1407792
3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-4-methyl-N-(2-methylphenyl)benzamide
CID 1407541
3-chloro-1-(4-chlorophenyl)-4-(2,4-dimethylanilino)pyrrole-2,5-dione
CID 1185285
3-chloro-4-(3,5-dimethylanilino)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione
CID 1182462
3-(2,3-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(3-fluorophenyl)pyrrole-2,5-dione
CID 110589264

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(3-chloro-4-methylphenyl)-4-(2,3-dimethylanilino)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-1-(3-chloro-4-methylphenyl)-4-(2,3-dimethylanilino)pyrrole-2,5-dione (CID 1181998) is 3-chloro-1-(3-chloro-4-methylphenyl)-4-(2,3-dimethylanilino)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-1-(3-chloro-4-methylphenyl)-4-(2,3-dimethylanilino)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-1-(3-chloro-4-methylphenyl)-4-(2,3-dimethylanilino)pyrrole-2,5-dione is Cc1ccc(N2C(=O)C(Cl)=C(Nc3cccc(C)c3C)C2=O)cc1Cl.
What is the InChIKey of 3-chloro-1-(3-chloro-4-methylphenyl)-4-(2,3-dimethylanilino)pyrrole-2,5-dione?
The InChIKey is YYRDQERBQFLGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2/c1-10-5-4-6-15(12(10)3)22-17-16(21)18(24)23(19(17)25)13-8-7-11(2)14(20)9-13/h4-9,22H,1-3H3.
What are the key properties of 3-chloro-1-(3-chloro-4-methylphenyl)-4-(2,3-dimethylanilino)pyrrole-2,5-dione?
3-chloro-1-(3-chloro-4-methylphenyl)-4-(2,3-dimethylanilino)pyrrole-2,5-dione has a molecular weight of 375.26 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(3-chloro-4-methylphenyl)-4-(2,3-dimethylanilino)pyrrole-2,5-dione is sourced from PubChem (CID 1181998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).