3-(2,4-dichlorophenyl)-4-(2,5-dimethoxyanilino)-1-propan-2-ylpyrrole-2,5-dione

C21H20Cl2N2O4 — CID 110598970

IUPAC3-(2,4-dichlorophenyl)-4-(2,5-dimethoxyanilino)-1-propan-2-ylpyrrole-2,5-dione
SMILESCOc1ccc(OC)c(NC2=C(c3ccc(Cl)cc3Cl)C(=O)N(C(C)C)C2=O)c1
InChIInChI=1S/C21H20Cl2N2O4/c1-11(2)25-20(26)18(14-7-5-12(22)9-15(14)23)19(21(25)27)24-16-10-13(28-3)6-8-17(16)29-4/h5-11,24H,1-4H3
InChIKeyINJUZFWSCAHFAL-UHFFFAOYSA-N
MW435.31 g/mol
LogP4.61
Rot. Bonds6

About 3-(2,4-dichlorophenyl)-4-(2,5-dimethoxyanilino)-1-propan-2-ylpyrrole-2,5-dione

3-(2,4-dichlorophenyl)-4-(2,5-dimethoxyanilino)-1-propan-2-ylpyrrole-2,5-dione (PubChem CID 110598970) has the molecular formula C21H20Cl2N2O4 and a molecular weight of 435.31 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-4-(2,5-dimethoxyanilino)-1-propan-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-4-(2,5-dimethoxyanilino)-1-propan-2-ylpyrrole-2,5-dione
PubChem CID110598970
Molecular FormulaC21H20Cl2N2O4
Molecular Weight435.31 g/mol
Exact Mass434.08
IUPAC Name3-(2,4-dichlorophenyl)-4-(2,5-dimethoxyanilino)-1-propan-2-ylpyrrole-2,5-dione
SMILESCOc1ccc(OC)c(NC2=C(c3ccc(Cl)cc3Cl)C(=O)N(C(C)C)C2=O)c1
InChIInChI=1S/C21H20Cl2N2O4/c1-11(2)25-20(26)18(14-7-5-12(22)9-15(14)23)19(21(25)27)24-16-10-13(28-3)6-8-17(16)29-4/h5-11,24H,1-4H3
InChIKeyINJUZFWSCAHFAL-UHFFFAOYSA-N
XLogP4.61
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.31
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chloro-4-methoxyanilino)-4-(2,4-dichlorophenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110598897
3-(4-chlorophenyl)-4-(2,5-dimethoxyanilino)-1-(3,5-dimethylphenyl)pyrrole-2,5-dione
CID 110599669
3-(3-chloro-2-methylanilino)-4-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110597976
3-chloro-1-(3-chlorophenyl)-4-(2,5-dimethoxyanilino)pyrrole-2,5-dione
CID 1185308
1-(4-chlorophenyl)-3-(2,5-dimethoxyanilino)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110589585
1-(3,4-difluorophenyl)-3-(2,5-dimethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598608
3-(2,5-dimethoxyanilino)-1-(3,5-dimethylphenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598028
3-(2,4-dichlorophenyl)-4-(3-methoxyanilino)-1-(3-methoxypropyl)pyrrole-2,5-dione
CID 110598868
1-(3-chlorophenyl)-3-(2,5-dimethoxyanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110587083
1-(3-chloro-4-methoxyphenyl)-3-(2,5-dimethoxyanilino)-4-phenylpyrrole-2,5-dione
CID 110595150
3-(2,5-dimethylanilino)-4-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110597986
1-(5-chloro-2-methylphenyl)-3-(2,5-dimethoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591539

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-4-(2,5-dimethoxyanilino)-1-propan-2-ylpyrrole-2,5-dione?
The IUPAC name of 3-(2,4-dichlorophenyl)-4-(2,5-dimethoxyanilino)-1-propan-2-ylpyrrole-2,5-dione (CID 110598970) is 3-(2,4-dichlorophenyl)-4-(2,5-dimethoxyanilino)-1-propan-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-4-(2,5-dimethoxyanilino)-1-propan-2-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(2,4-dichlorophenyl)-4-(2,5-dimethoxyanilino)-1-propan-2-ylpyrrole-2,5-dione is COc1ccc(OC)c(NC2=C(c3ccc(Cl)cc3Cl)C(=O)N(C(C)C)C2=O)c1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-4-(2,5-dimethoxyanilino)-1-propan-2-ylpyrrole-2,5-dione?
The InChIKey is INJUZFWSCAHFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N2O4/c1-11(2)25-20(26)18(14-7-5-12(22)9-15(14)23)19(21(25)27)24-16-10-13(28-3)6-8-17(16)29-4/h5-11,24H,1-4H3.
What are the key properties of 3-(2,4-dichlorophenyl)-4-(2,5-dimethoxyanilino)-1-propan-2-ylpyrrole-2,5-dione?
3-(2,4-dichlorophenyl)-4-(2,5-dimethoxyanilino)-1-propan-2-ylpyrrole-2,5-dione has a molecular weight of 435.31 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-4-(2,5-dimethoxyanilino)-1-propan-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110598970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).