3-anilino-4-(2,4-dichlorophenyl)-1-(2-methylpropyl)pyrrole-2,5-dione

C20H18Cl2N2O2 — CID 110598907

IUPAC3-anilino-4-(2,4-dichlorophenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
SMILESCC(C)CN1C(=O)C(Nc2ccccc2)=C(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C20H18Cl2N2O2/c1-12(2)11-24-19(25)17(15-9-8-13(21)10-16(15)22)18(20(24)26)23-14-6-4-3-5-7-14/h3-10,12,23H,11H2,1-2H3
InChIKeyLQTITWXVXLDNAZ-UHFFFAOYSA-N
MW389.28 g/mol
LogP4.84
Rot. Bonds5

About 3-anilino-4-(2,4-dichlorophenyl)-1-(2-methylpropyl)pyrrole-2,5-dione

3-anilino-4-(2,4-dichlorophenyl)-1-(2-methylpropyl)pyrrole-2,5-dione (PubChem CID 110598907) has the molecular formula C20H18Cl2N2O2 and a molecular weight of 389.28 g/mol. Its IUPAC name is 3-anilino-4-(2,4-dichlorophenyl)-1-(2-methylpropyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-anilino-4-(2,4-dichlorophenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
PubChem CID110598907
Molecular FormulaC20H18Cl2N2O2
Molecular Weight389.28 g/mol
Exact Mass388.07
IUPAC Name3-anilino-4-(2,4-dichlorophenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
SMILESCC(C)CN1C(=O)C(Nc2ccccc2)=C(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C20H18Cl2N2O2/c1-12(2)11-24-19(25)17(15-9-8-13(21)10-16(15)22)18(20(24)26)23-14-6-4-3-5-7-14/h3-10,12,23H,11H2,1-2H3
InChIKeyLQTITWXVXLDNAZ-UHFFFAOYSA-N
XLogP4.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.28
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-anilino-4-(2,4-dichlorophenyl)-1-(2-methylpropyl)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-(2,4-dichlorophenyl)-4-[4-(diethylamino)anilino]-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110598890
3-(3-chloro-4-methoxyanilino)-4-(2,4-dichlorophenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110598897
3-anilino-4-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110597852
3-(2,4-dichlorophenyl)-4-(2-hydroxyethylsulfanyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110568464
3-(2,4-dichlorophenyl)-4-(4-fluoroanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione
CID 110598834
3-(2,4-dichlorophenyl)-1-ethyl-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110598770
3-(2,4-dichlorophenyl)-4-[4-(dimethylamino)anilino]-1-prop-2-enylpyrrole-2,5-dione
CID 110598917
3-(2,4-dichlorophenyl)-4-(3-methoxyanilino)-1-(3-methoxypropyl)pyrrole-2,5-dione
CID 110598868
3-(2,4-dichlorophenyl)-4-(2,3-dimethylanilino)-1-prop-2-enylpyrrole-2,5-dione
CID 110598932
3-(4-fluoroanilino)-4-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110597837
3-(3,5-dimethoxyanilino)-4-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110597827
3-(4-chlorophenyl)-4-(3,5-dimethoxyanilino)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110599479

Frequently Asked Questions

What is the IUPAC name of 3-anilino-4-(2,4-dichlorophenyl)-1-(2-methylpropyl)pyrrole-2,5-dione?
The IUPAC name of 3-anilino-4-(2,4-dichlorophenyl)-1-(2-methylpropyl)pyrrole-2,5-dione (CID 110598907) is 3-anilino-4-(2,4-dichlorophenyl)-1-(2-methylpropyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-anilino-4-(2,4-dichlorophenyl)-1-(2-methylpropyl)pyrrole-2,5-dione?
The canonical SMILES for 3-anilino-4-(2,4-dichlorophenyl)-1-(2-methylpropyl)pyrrole-2,5-dione is CC(C)CN1C(=O)C(Nc2ccccc2)=C(c2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of 3-anilino-4-(2,4-dichlorophenyl)-1-(2-methylpropyl)pyrrole-2,5-dione?
The InChIKey is LQTITWXVXLDNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O2/c1-12(2)11-24-19(25)17(15-9-8-13(21)10-16(15)22)18(20(24)26)23-14-6-4-3-5-7-14/h3-10,12,23H,11H2,1-2H3.
What are the key properties of 3-anilino-4-(2,4-dichlorophenyl)-1-(2-methylpropyl)pyrrole-2,5-dione?
3-anilino-4-(2,4-dichlorophenyl)-1-(2-methylpropyl)pyrrole-2,5-dione has a molecular weight of 389.28 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-4-(2,4-dichlorophenyl)-1-(2-methylpropyl)pyrrole-2,5-dione is sourced from PubChem (CID 110598907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).