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

C20H19ClN2O2 — CID 1182462

IUPAC3-chloro-4-(3,5-dimethylanilino)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione
SMILESCc1cc(C)cc(NC2=C(Cl)C(=O)N(c3cccc(C)c3C)C2=O)c1
InChIInChI=1S/C20H19ClN2O2/c1-11-8-12(2)10-15(9-11)22-18-17(21)19(24)23(20(18)25)16-7-5-6-13(3)14(16)4/h5-10,22H,1-4H3
InChIKeyMUDPMNJUZSLGRJ-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.36
Rot. Bonds3

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

3-chloro-4-(3,5-dimethylanilino)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione (PubChem CID 1182462) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 3-chloro-4-(3,5-dimethylanilino)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-(3,5-dimethylanilino)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione
PubChem CID1182462
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name3-chloro-4-(3,5-dimethylanilino)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione
SMILESCc1cc(C)cc(NC2=C(Cl)C(=O)N(c3cccc(C)c3C)C2=O)c1
InChIInChI=1S/C20H19ClN2O2/c1-11-8-12(2)10-15(9-11)22-18-17(21)19(24)23(20(18)25)16-7-5-6-13(3)14(16)4/h5-10,22H,1-4H3
InChIKeyMUDPMNJUZSLGRJ-UHFFFAOYSA-N
XLogP4.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-chloro-4-(3,5-dimethylanilino)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-anilino-4-chloro-1-(2,3-dimethylphenyl)pyrrole-2,5-dione
CID 710533
3-chloro-4-(3,5-dimethylanilino)-1-naphthalen-1-ylpyrrole-2,5-dione
CID 2791786
3-chloro-1-(2,3-dimethylphenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 1033899
3-chloro-4-(5-chloro-2-methoxyanilino)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione
CID 1182466
3-chloro-4-(3-chloroanilino)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 728018
3-(4-chlorophenyl)-4-(3,5-dimethylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110600121
3-chloro-1-(2-methylphenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 1186087
3-chloro-1-(2,4-dimethylphenyl)-4-(4-methylanilino)pyrrole-2,5-dione
CID 710569
3-chloro-1-(2-chlorophenyl)-4-(2,4-dimethylanilino)pyrrole-2,5-dione
CID 1185248
4-[[4-chloro-1-(2-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzenesulfonamide
CID 1186093
3-chloro-1-(3-chloro-4-methylphenyl)-4-(2,3-dimethylanilino)pyrrole-2,5-dione
CID 1181998
3-(3,5-dimethoxyanilino)-1-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593463

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3,5-dimethylanilino)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-4-(3,5-dimethylanilino)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione (CID 1182462) is 3-chloro-4-(3,5-dimethylanilino)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-4-(3,5-dimethylanilino)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-4-(3,5-dimethylanilino)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione is Cc1cc(C)cc(NC2=C(Cl)C(=O)N(c3cccc(C)c3C)C2=O)c1.
What is the InChIKey of 3-chloro-4-(3,5-dimethylanilino)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione?
The InChIKey is MUDPMNJUZSLGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-11-8-12(2)10-15(9-11)22-18-17(21)19(24)23(20(18)25)16-7-5-6-13(3)14(16)4/h5-10,22H,1-4H3.
What are the key properties of 3-chloro-4-(3,5-dimethylanilino)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione?
3-chloro-4-(3,5-dimethylanilino)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione has a molecular weight of 354.84 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3,5-dimethylanilino)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 1182462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).