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

C17H12Cl2N2O2 — CID 728018

IUPAC3-chloro-4-(3-chloroanilino)-1-(2-methylphenyl)pyrrole-2,5-dione
SMILESCc1ccccc1N1C(=O)C(Cl)=C(Nc2cccc(Cl)c2)C1=O
InChIInChI=1S/C17H12Cl2N2O2/c1-10-5-2-3-8-13(10)21-16(22)14(19)15(17(21)23)20-12-7-4-6-11(18)9-12/h2-9,20H,1H3
InChIKeyBJMDJOXVPRIEFY-UHFFFAOYSA-N
MW347.20 g/mol
LogP4.08
Rot. Bonds3

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

3-chloro-4-(3-chloroanilino)-1-(2-methylphenyl)pyrrole-2,5-dione (PubChem CID 728018) has the molecular formula C17H12Cl2N2O2 and a molecular weight of 347.20 g/mol. Its IUPAC name is 3-chloro-4-(3-chloroanilino)-1-(2-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-(3-chloroanilino)-1-(2-methylphenyl)pyrrole-2,5-dione
PubChem CID728018
Molecular FormulaC17H12Cl2N2O2
Molecular Weight347.20 g/mol
Exact Mass346.03
IUPAC Name3-chloro-4-(3-chloroanilino)-1-(2-methylphenyl)pyrrole-2,5-dione
SMILESCc1ccccc1N1C(=O)C(Cl)=C(Nc2cccc(Cl)c2)C1=O
InChIInChI=1S/C17H12Cl2N2O2/c1-10-5-2-3-8-13(10)21-16(22)14(19)15(17(21)23)20-12-7-4-6-11(18)9-12/h2-9,20H,1H3
InChIKeyBJMDJOXVPRIEFY-UHFFFAOYSA-N
XLogP4.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 54.08
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-chloro-1-(2-methylphenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 1186087
3-anilino-4-chloro-1-(2,3-dimethylphenyl)pyrrole-2,5-dione
CID 710533
3-chloro-4-(3,5-dimethylanilino)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione
CID 1182462
4-[[4-chloro-1-(2-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzenesulfonamide
CID 1186093
3-chloro-1-(2,3-dimethylphenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 1033899
3-chloro-1-(2-chlorophenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione
CID 1185251
3-chloro-1-(2,4-dichlorophenyl)-4-(3,4-dimethylanilino)pyrrole-2,5-dione
CID 1181085
3-chloro-4-(3,5-dimethylanilino)-1-naphthalen-1-ylpyrrole-2,5-dione
CID 2791786
3-chloro-4-(5-chloro-2-methoxyanilino)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione
CID 1182466
3-chloro-1-(2,4-dimethylphenyl)-4-(4-methylanilino)pyrrole-2,5-dione
CID 710569
3-(4-chlorophenyl)-4-(3,5-dimethylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110600121
3-[[4-chloro-1-(2-ethoxycarbonylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate
CID 4069598

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3-chloroanilino)-1-(2-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-4-(3-chloroanilino)-1-(2-methylphenyl)pyrrole-2,5-dione (CID 728018) is 3-chloro-4-(3-chloroanilino)-1-(2-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-4-(3-chloroanilino)-1-(2-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-4-(3-chloroanilino)-1-(2-methylphenyl)pyrrole-2,5-dione is Cc1ccccc1N1C(=O)C(Cl)=C(Nc2cccc(Cl)c2)C1=O.
What is the InChIKey of 3-chloro-4-(3-chloroanilino)-1-(2-methylphenyl)pyrrole-2,5-dione?
The InChIKey is BJMDJOXVPRIEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2/c1-10-5-2-3-8-13(10)21-16(22)14(19)15(17(21)23)20-12-7-4-6-11(18)9-12/h2-9,20H,1H3.
What are the key properties of 3-chloro-4-(3-chloroanilino)-1-(2-methylphenyl)pyrrole-2,5-dione?
3-chloro-4-(3-chloroanilino)-1-(2-methylphenyl)pyrrole-2,5-dione has a molecular weight of 347.20 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3-chloroanilino)-1-(2-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 728018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).