3-(2,4-dimethylphenyl)-1-(3-fluorophenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione

C24H25FN2O2 — CID 110579266

IUPAC3-(2,4-dimethylphenyl)-1-(3-fluorophenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(N3CCC(C)CC3)C(=O)N(c3cccc(F)c3)C2=O)c(C)c1
InChIInChI=1S/C24H25FN2O2/c1-15-9-11-26(12-10-15)22-21(20-8-7-16(2)13-17(20)3)23(28)27(24(22)29)19-6-4-5-18(25)14-19/h4-8,13-15H,9-12H2,1-3H3
InChIKeyUDPXCFLIOGXMPI-UHFFFAOYSA-N
MW392.47 g/mol
LogP4.46
Rot. Bonds3

About 3-(2,4-dimethylphenyl)-1-(3-fluorophenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione

3-(2,4-dimethylphenyl)-1-(3-fluorophenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione (PubChem CID 110579266) has the molecular formula C24H25FN2O2 and a molecular weight of 392.47 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-1-(3-fluorophenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-1-(3-fluorophenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
PubChem CID110579266
Molecular FormulaC24H25FN2O2
Molecular Weight392.47 g/mol
Exact Mass392.19
IUPAC Name3-(2,4-dimethylphenyl)-1-(3-fluorophenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(N3CCC(C)CC3)C(=O)N(c3cccc(F)c3)C2=O)c(C)c1
InChIInChI=1S/C24H25FN2O2/c1-15-9-11-26(12-10-15)22-21(20-8-7-16(2)13-17(20)3)23(28)27(24(22)29)19-6-4-5-18(25)14-19/h4-8,13-15H,9-12H2,1-3H3
InChIKeyUDPXCFLIOGXMPI-UHFFFAOYSA-N
XLogP4.46
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 54.46
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-(2,4-dimethylphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110579903
3-(2,4-dimethylphenyl)-4-(4-methylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
CID 110580322
3-(2,4-dimethylphenyl)-4-pyrrolidin-1-yl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110579448
1-(3,4-difluorophenyl)-3-(2,4-dimethylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110580440
3-(2,4-dimethylphenyl)-1-(3,5-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110579310
3-(2,4-dimethylphenyl)-1-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110580127
3-(2,4-dimethylphenyl)-1-(3-methylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110579934
1-(3-chloro-4-methylphenyl)-3-(2,4-dimethylphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110580203
3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(2,4-dimethylphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione
CID 110579928
3-(2,4-dimethylphenyl)-4-[3-(hydroxymethyl)piperidin-1-yl]-1-phenylpyrrole-2,5-dione
CID 110579824
3-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrole-2,5-dione
CID 110579351
3-(2,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110568715

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-1-(3-fluorophenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(2,4-dimethylphenyl)-1-(3-fluorophenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione (CID 110579266) is 3-(2,4-dimethylphenyl)-1-(3-fluorophenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-1-(3-fluorophenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,4-dimethylphenyl)-1-(3-fluorophenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione is Cc1ccc(C2=C(N3CCC(C)CC3)C(=O)N(c3cccc(F)c3)C2=O)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-1-(3-fluorophenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione?
The InChIKey is UDPXCFLIOGXMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O2/c1-15-9-11-26(12-10-15)22-21(20-8-7-16(2)13-17(20)3)23(28)27(24(22)29)19-6-4-5-18(25)14-19/h4-8,13-15H,9-12H2,1-3H3.
What are the key properties of 3-(2,4-dimethylphenyl)-1-(3-fluorophenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione?
3-(2,4-dimethylphenyl)-1-(3-fluorophenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione has a molecular weight of 392.47 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-1-(3-fluorophenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione is sourced from PubChem (CID 110579266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).