1-(3,5-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione

C23H21Cl2FN2O2 — CID 110544773

IUPAC1-(3,5-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
SMILESCC1CC(C)CN(C2=C(c3ccc(F)cc3)C(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)C1
InChIInChI=1S/C23H21Cl2FN2O2/c1-13-7-14(2)12-27(11-13)21-20(15-3-5-18(26)6-4-15)22(29)28(23(21)30)19-9-16(24)8-17(25)10-19/h3-6,8-10,13-14H,7,11-12H2,1-2H3
InChIKeyCJGPMWRQGYCKQB-UHFFFAOYSA-N
MW447.34 g/mol
LogP5.39
Rot. Bonds3

About 1-(3,5-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione

1-(3,5-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione (PubChem CID 110544773) has the molecular formula C23H21Cl2FN2O2 and a molecular weight of 447.34 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
PubChem CID110544773
Molecular FormulaC23H21Cl2FN2O2
Molecular Weight447.34 g/mol
Exact Mass446.10
IUPAC Name1-(3,5-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
SMILESCC1CC(C)CN(C2=C(c3ccc(F)cc3)C(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)C1
InChIInChI=1S/C23H21Cl2FN2O2/c1-13-7-14(2)12-27(11-13)21-20(15-3-5-18(26)6-4-15)22(29)28(23(21)30)19-9-16(24)8-17(25)10-19/h3-6,8-10,13-14H,7,11-12H2,1-2H3
InChIKeyCJGPMWRQGYCKQB-UHFFFAOYSA-N
XLogP5.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.34
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3,5-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(4-fluorophenyl)pyrrole-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

1,3-bis(4-chlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)pyrrole-2,5-dione
CID 110570834
3-(3,5-dimethylpiperidin-1-yl)-1,4-bis(4-methylphenyl)pyrrole-2,5-dione
CID 110574305
1-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)pyrrole-2,5-dione
CID 110571175
3-(2,6-dimethylmorpholin-4-yl)-1,4-bis(4-fluorophenyl)pyrrole-2,5-dione
CID 110544643
1-(3,4-difluorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110548061
3-(4-fluorophenyl)-4-(3-methylpiperidin-1-yl)-1-(4-pyrrolidin-1-ylphenyl)pyrrole-2,5-dione
CID 110543076
3-(4-chlorophenyl)-1-(2,5-dimethylphenyl)-4-(3,5-dimethylpiperidin-1-yl)pyrrole-2,5-dione
CID 110570708
1-(3,5-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110542933
1-(3,4-difluorophenyl)-3-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110545917
3-(3,5-dimethylpiperidin-1-yl)-4-(4-methylphenyl)-1-(4-pyrrolidin-1-ylphenyl)pyrrole-2,5-dione
CID 110571740
3-(3,5-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577232
1-(3,5-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-4-(3,5-dimethylpiperidin-1-yl)pyrrole-2,5-dione
CID 110548177

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione (CID 110544773) is 1-(3,5-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione is CC1CC(C)CN(C2=C(c3ccc(F)cc3)C(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)C1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione?
The InChIKey is CJGPMWRQGYCKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2FN2O2/c1-13-7-14(2)12-27(11-13)21-20(15-3-5-18(26)6-4-15)22(29)28(23(21)30)19-9-16(24)8-17(25)10-19/h3-6,8-10,13-14H,7,11-12H2,1-2H3.
What are the key properties of 1-(3,5-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione?
1-(3,5-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione has a molecular weight of 447.34 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110544773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).