1-(4-tert-butylphenyl)-3-(4-chlorophenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione

C24H25ClN2O2 — CID 110570891

IUPAC1-(4-tert-butylphenyl)-3-(4-chlorophenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
SMILESCC(C)(C)c1ccc(N2C(=O)C(c3ccc(Cl)cc3)=C(N3CCCC3)C2=O)cc1
InChIInChI=1S/C24H25ClN2O2/c1-24(2,3)17-8-12-19(13-9-17)27-22(28)20(16-6-10-18(25)11-7-16)21(23(27)29)26-14-4-5-15-26/h6-13H,4-5,14-15H2,1-3H3
InChIKeySFHORFKVFRLADL-UHFFFAOYSA-N
MW408.93 g/mol
LogP5.02
Rot. Bonds3

About 1-(4-tert-butylphenyl)-3-(4-chlorophenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione

1-(4-tert-butylphenyl)-3-(4-chlorophenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione (PubChem CID 110570891) has the molecular formula C24H25ClN2O2 and a molecular weight of 408.93 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-(4-chlorophenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-(4-chlorophenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
PubChem CID110570891
Molecular FormulaC24H25ClN2O2
Molecular Weight408.93 g/mol
Exact Mass408.16
IUPAC Name1-(4-tert-butylphenyl)-3-(4-chlorophenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
SMILESCC(C)(C)c1ccc(N2C(=O)C(c3ccc(Cl)cc3)=C(N3CCCC3)C2=O)cc1
InChIInChI=1S/C24H25ClN2O2/c1-24(2,3)17-8-12-19(13-9-17)27-22(28)20(16-6-10-18(25)11-7-16)21(23(27)29)26-14-4-5-15-26/h6-13H,4-5,14-15H2,1-3H3
InChIKeySFHORFKVFRLADL-UHFFFAOYSA-N
XLogP5.02
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.93
LogP ≤ 55.02
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

1-(4-tert-butylphenyl)-3-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110574028
3-(4-chlorophenyl)-4-pyrrolidin-1-yl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110570484
1-(4-chlorophenyl)-3-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110573947
1-(4-tert-butylphenyl)-3-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110545285
3-chloro-4-(4-chlorophenyl)-1-(4-piperidin-1-ylphenyl)pyrrole-2,5-dione
CID 110584051
3-(4-chlorophenyl)-1-[4-(dimethylamino)phenyl]-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110569121
3-(4-chlorophenyl)-1-(4-ethylphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110570639
1,3-bis(4-chlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)pyrrole-2,5-dione
CID 110570834
1-(5-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110570533
3-(4-chlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-phenylpyrrole-2,5-dione
CID 110570804
1-(3,5-dichlorophenyl)-3-(4-methoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110557226
3-(4-chlorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110571088

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-(4-chlorophenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The IUPAC name of 1-(4-tert-butylphenyl)-3-(4-chlorophenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione (CID 110570891) is 1-(4-tert-butylphenyl)-3-(4-chlorophenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-(4-chlorophenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-(4-chlorophenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione is CC(C)(C)c1ccc(N2C(=O)C(c3ccc(Cl)cc3)=C(N3CCCC3)C2=O)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-(4-chlorophenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The InChIKey is SFHORFKVFRLADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O2/c1-24(2,3)17-8-12-19(13-9-17)27-22(28)20(16-6-10-18(25)11-7-16)21(23(27)29)26-14-4-5-15-26/h6-13H,4-5,14-15H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-3-(4-chlorophenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione?
1-(4-tert-butylphenyl)-3-(4-chlorophenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione has a molecular weight of 408.93 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-(4-chlorophenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 110570891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).