3-(2,4-dichlorophenyl)-4-(2,3-dimethylanilino)-1-prop-2-enylpyrrole-2,5-dione

C21H18Cl2N2O2 — CID 110598932

IUPAC3-(2,4-dichlorophenyl)-4-(2,3-dimethylanilino)-1-prop-2-enylpyrrole-2,5-dione
SMILESC=CCN1C(=O)C(Nc2cccc(C)c2C)=C(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C21H18Cl2N2O2/c1-4-10-25-20(26)18(15-9-8-14(22)11-16(15)23)19(21(25)27)24-17-7-5-6-12(2)13(17)3/h4-9,11,24H,1,10H2,2-3H3
InChIKeyWVNDKHUDIHLGRC-UHFFFAOYSA-N
MW401.29 g/mol
LogP4.99
Rot. Bonds5

About 3-(2,4-dichlorophenyl)-4-(2,3-dimethylanilino)-1-prop-2-enylpyrrole-2,5-dione

3-(2,4-dichlorophenyl)-4-(2,3-dimethylanilino)-1-prop-2-enylpyrrole-2,5-dione (PubChem CID 110598932) has the molecular formula C21H18Cl2N2O2 and a molecular weight of 401.29 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-4-(2,3-dimethylanilino)-1-prop-2-enylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-4-(2,3-dimethylanilino)-1-prop-2-enylpyrrole-2,5-dione
PubChem CID110598932
Molecular FormulaC21H18Cl2N2O2
Molecular Weight401.29 g/mol
Exact Mass400.07
IUPAC Name3-(2,4-dichlorophenyl)-4-(2,3-dimethylanilino)-1-prop-2-enylpyrrole-2,5-dione
SMILESC=CCN1C(=O)C(Nc2cccc(C)c2C)=C(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C21H18Cl2N2O2/c1-4-10-25-20(26)18(15-9-8-14(22)11-16(15)23)19(21(25)27)24-17-7-5-6-12(2)13(17)3/h4-9,11,24H,1,10H2,2-3H3
InChIKeyWVNDKHUDIHLGRC-UHFFFAOYSA-N
XLogP4.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.29
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2,4-dichlorophenyl)-4-(2,3-dimethylanilino)-1-prop-2-enylpyrrole-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-(2,3-dimethylanilino)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione
CID 110594820
3-(2,4-dichlorophenyl)-4-[4-(dimethylamino)anilino]-1-prop-2-enylpyrrole-2,5-dione
CID 110598917
3-anilino-4-(2,4-dichlorophenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110598907
3-[benzyl(methyl)amino]-4-(2,4-dichlorophenyl)-1-prop-2-enylpyrrole-2,5-dione
CID 110568509
1-[(4-chlorophenyl)methyl]-3-(2,3-dimethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590575
2-[[5-(2,4-dichlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide
CID 21378454
1-(3-chlorophenyl)-3-(4-chlorophenyl)-4-(2,3-dimethylanilino)pyrrole-2,5-dione
CID 110599929
3-(2,4-dichlorophenyl)-4-(3-methoxyanilino)-1-(3-methoxypropyl)pyrrole-2,5-dione
CID 110598868
3-(4-chlorophenyl)-4-(2,3-dimethylanilino)-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione
CID 110599182
3-(2,4-dichlorophenyl)-1-ethyl-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110598770
3-(2,4-dichlorophenyl)-4-(4-fluoroanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione
CID 110598834
3-(3,4-dimethylphenyl)-4-(2-ethoxyanilino)-1-prop-2-enylpyrrole-2,5-dione
CID 110589122

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-4-(2,3-dimethylanilino)-1-prop-2-enylpyrrole-2,5-dione?
The IUPAC name of 3-(2,4-dichlorophenyl)-4-(2,3-dimethylanilino)-1-prop-2-enylpyrrole-2,5-dione (CID 110598932) is 3-(2,4-dichlorophenyl)-4-(2,3-dimethylanilino)-1-prop-2-enylpyrrole-2,5-dione.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-4-(2,3-dimethylanilino)-1-prop-2-enylpyrrole-2,5-dione?
The canonical SMILES for 3-(2,4-dichlorophenyl)-4-(2,3-dimethylanilino)-1-prop-2-enylpyrrole-2,5-dione is C=CCN1C(=O)C(Nc2cccc(C)c2C)=C(c2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of 3-(2,4-dichlorophenyl)-4-(2,3-dimethylanilino)-1-prop-2-enylpyrrole-2,5-dione?
The InChIKey is WVNDKHUDIHLGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O2/c1-4-10-25-20(26)18(15-9-8-14(22)11-16(15)23)19(21(25)27)24-17-7-5-6-12(2)13(17)3/h4-9,11,24H,1,10H2,2-3H3.
What are the key properties of 3-(2,4-dichlorophenyl)-4-(2,3-dimethylanilino)-1-prop-2-enylpyrrole-2,5-dione?
3-(2,4-dichlorophenyl)-4-(2,3-dimethylanilino)-1-prop-2-enylpyrrole-2,5-dione has a molecular weight of 401.29 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-4-(2,3-dimethylanilino)-1-prop-2-enylpyrrole-2,5-dione is sourced from PubChem (CID 110598932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).