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

C19H17ClN2O2 — CID 710569

IUPAC3-chloro-1-(2,4-dimethylphenyl)-4-(4-methylanilino)pyrrole-2,5-dione
SMILESCc1ccc(NC2=C(Cl)C(=O)N(c3ccc(C)cc3C)C2=O)cc1
InChIInChI=1S/C19H17ClN2O2/c1-11-4-7-14(8-5-11)21-17-16(20)18(23)22(19(17)24)15-9-6-12(2)10-13(15)3/h4-10,21H,1-3H3
InChIKeyTXYUMGKLLLSYID-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.05
Rot. Bonds3

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

3-chloro-1-(2,4-dimethylphenyl)-4-(4-methylanilino)pyrrole-2,5-dione (PubChem CID 710569) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 3-chloro-1-(2,4-dimethylphenyl)-4-(4-methylanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-1-(2,4-dimethylphenyl)-4-(4-methylanilino)pyrrole-2,5-dione
PubChem CID710569
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name3-chloro-1-(2,4-dimethylphenyl)-4-(4-methylanilino)pyrrole-2,5-dione
SMILESCc1ccc(NC2=C(Cl)C(=O)N(c3ccc(C)cc3C)C2=O)cc1
InChIInChI=1S/C19H17ClN2O2/c1-11-4-7-14(8-5-11)21-17-16(20)18(23)22(19(17)24)15-9-6-12(2)10-13(15)3/h4-10,21H,1-3H3
InChIKeyTXYUMGKLLLSYID-UHFFFAOYSA-N
XLogP4.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.05
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

3,4-dichloro-1-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 709008
1-(2,4-dimethylphenyl)-3-(4-fluoroanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110587374
3-chloro-4-(3-chloro-4-methylanilino)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 1033955
3-chloro-1-(2-chlorophenyl)-4-(2,4-dimethylanilino)pyrrole-2,5-dione
CID 1185248
3-chloro-1-(2,4-dichlorophenyl)-4-(3,4-dimethylanilino)pyrrole-2,5-dione
CID 1181085
1-(2,4-dimethylphenyl)-3-(4-ethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110587385
3-(5-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110600066
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-chloro-4-(3-chloroanilino)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 728018
4-[[4-chloro-1-(2-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzenesulfonamide
CID 1186093
3-anilino-4-chloro-1-(2,3-dimethylphenyl)pyrrole-2,5-dione
CID 710533

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(2,4-dimethylphenyl)-4-(4-methylanilino)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-1-(2,4-dimethylphenyl)-4-(4-methylanilino)pyrrole-2,5-dione (CID 710569) is 3-chloro-1-(2,4-dimethylphenyl)-4-(4-methylanilino)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-1-(2,4-dimethylphenyl)-4-(4-methylanilino)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-1-(2,4-dimethylphenyl)-4-(4-methylanilino)pyrrole-2,5-dione is Cc1ccc(NC2=C(Cl)C(=O)N(c3ccc(C)cc3C)C2=O)cc1.
What is the InChIKey of 3-chloro-1-(2,4-dimethylphenyl)-4-(4-methylanilino)pyrrole-2,5-dione?
The InChIKey is TXYUMGKLLLSYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-11-4-7-14(8-5-11)21-17-16(20)18(23)22(19(17)24)15-9-6-12(2)10-13(15)3/h4-10,21H,1-3H3.
What are the key properties of 3-chloro-1-(2,4-dimethylphenyl)-4-(4-methylanilino)pyrrole-2,5-dione?
3-chloro-1-(2,4-dimethylphenyl)-4-(4-methylanilino)pyrrole-2,5-dione has a molecular weight of 340.81 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2,4-dimethylphenyl)-4-(4-methylanilino)pyrrole-2,5-dione is sourced from PubChem (CID 710569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).