3-(2,4-dichlorophenyl)-1-ethyl-4-pyrrolidin-1-ylpyrrole-2,5-dione

C16H16Cl2N2O2 — CID 110568175

IUPAC3-(2,4-dichlorophenyl)-1-ethyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
SMILESCCN1C(=O)C(c2ccc(Cl)cc2Cl)=C(N2CCCC2)C1=O
InChIInChI=1S/C16H16Cl2N2O2/c1-2-20-15(21)13(11-6-5-10(17)9-12(11)18)14(16(20)22)19-7-3-4-8-19/h5-6,9H,2-4,7-8H2,1H3
InChIKeyRWDHEPKVUOSKTG-UHFFFAOYSA-N
MW339.22 g/mol
LogP3.19
Rot. Bonds3

About 3-(2,4-dichlorophenyl)-1-ethyl-4-pyrrolidin-1-ylpyrrole-2,5-dione

3-(2,4-dichlorophenyl)-1-ethyl-4-pyrrolidin-1-ylpyrrole-2,5-dione (PubChem CID 110568175) has the molecular formula C16H16Cl2N2O2 and a molecular weight of 339.22 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1-ethyl-4-pyrrolidin-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-1-ethyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
PubChem CID110568175
Molecular FormulaC16H16Cl2N2O2
Molecular Weight339.22 g/mol
Exact Mass338.06
IUPAC Name3-(2,4-dichlorophenyl)-1-ethyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
SMILESCCN1C(=O)C(c2ccc(Cl)cc2Cl)=C(N2CCCC2)C1=O
InChIInChI=1S/C16H16Cl2N2O2/c1-2-20-15(21)13(11-6-5-10(17)9-12(11)18)14(16(20)22)19-7-3-4-8-19/h5-6,9H,2-4,7-8H2,1H3
InChIKeyRWDHEPKVUOSKTG-UHFFFAOYSA-N
XLogP3.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-propylpyrrole-2,5-dione
CID 110568143
1-benzyl-3-(2,4-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)pyrrole-2,5-dione
CID 110568058
3-(2,4-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-(3-methoxypropyl)pyrrole-2,5-dione
CID 110568370
3-(2,4-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
CID 110568398
3-(2,4-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-phenylpyrrole-2,5-dione
CID 110568790
3-(2,4-dichlorophenyl)-1-(2-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110568680
1-cyclohexyl-3-(2,4-dichlorophenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110568304
3-(2,4-dichlorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1-prop-2-enylpyrrole-2,5-dione
CID 110568508
3-(2,4-dichlorophenyl)-1-ethyl-4-phenylsulfanylpyrrole-2,5-dione
CID 110568201
3-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)-1-propylpyrrole-2,5-dione
CID 110568157
3-(2,4-dichlorophenyl)-1-methyl-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione
CID 110568220
3-(2,4-dichlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione
CID 110567937

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-1-ethyl-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The IUPAC name of 3-(2,4-dichlorophenyl)-1-ethyl-4-pyrrolidin-1-ylpyrrole-2,5-dione (CID 110568175) is 3-(2,4-dichlorophenyl)-1-ethyl-4-pyrrolidin-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-1-ethyl-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(2,4-dichlorophenyl)-1-ethyl-4-pyrrolidin-1-ylpyrrole-2,5-dione is CCN1C(=O)C(c2ccc(Cl)cc2Cl)=C(N2CCCC2)C1=O.
What is the InChIKey of 3-(2,4-dichlorophenyl)-1-ethyl-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The InChIKey is RWDHEPKVUOSKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2/c1-2-20-15(21)13(11-6-5-10(17)9-12(11)18)14(16(20)22)19-7-3-4-8-19/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 3-(2,4-dichlorophenyl)-1-ethyl-4-pyrrolidin-1-ylpyrrole-2,5-dione?
3-(2,4-dichlorophenyl)-1-ethyl-4-pyrrolidin-1-ylpyrrole-2,5-dione has a molecular weight of 339.22 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-1-ethyl-4-pyrrolidin-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 110568175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).