3-(2,4-dichlorophenyl)-1-(2-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione

C21H17Cl2FN2O2 — CID 110568680

IUPAC3-(2,4-dichlorophenyl)-1-(2-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione
SMILESO=C1C(c2ccc(Cl)cc2Cl)=C(N2CCCCC2)C(=O)N1c1ccccc1F
InChIInChI=1S/C21H17Cl2FN2O2/c22-13-8-9-14(15(23)12-13)18-19(25-10-4-1-5-11-25)21(28)26(20(18)27)17-7-3-2-6-16(17)24/h2-3,6-9,12H,1,4-5,10-11H2
InChIKeyNEVSTHANFNEJRG-UHFFFAOYSA-N
MW419.28 g/mol
LogP4.90
Rot. Bonds3

About 3-(2,4-dichlorophenyl)-1-(2-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione

3-(2,4-dichlorophenyl)-1-(2-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione (PubChem CID 110568680) has the molecular formula C21H17Cl2FN2O2 and a molecular weight of 419.28 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1-(2-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-1-(2-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione
PubChem CID110568680
Molecular FormulaC21H17Cl2FN2O2
Molecular Weight419.28 g/mol
Exact Mass418.07
IUPAC Name3-(2,4-dichlorophenyl)-1-(2-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione
SMILESO=C1C(c2ccc(Cl)cc2Cl)=C(N2CCCCC2)C(=O)N1c1ccccc1F
InChIInChI=1S/C21H17Cl2FN2O2/c22-13-8-9-14(15(23)12-13)18-19(25-10-4-1-5-11-25)21(28)26(20(18)27)17-7-3-2-6-16(17)24/h2-3,6-9,12H,1,4-5,10-11H2
InChIKeyNEVSTHANFNEJRG-UHFFFAOYSA-N
XLogP4.90
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.28
LogP ≤ 54.90
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-(2-fluorophenyl)-3-(2-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110566805
3-(2,4-dichlorophenyl)-1-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110568882
3-(2,4-dimethylphenyl)-1-(2-fluorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110579487
3-(2,4-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-phenylpyrrole-2,5-dione
CID 110568790
3-(2,4-dichlorophenyl)-1-ethyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110568175
1-(2-chlorophenyl)-3-(2,4-dichlorophenyl)-4-hydroxypyrrole-2,5-dione
CID 110581807
3-(4-chlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-(2-fluorophenyl)pyrrole-2,5-dione
CID 110570511
3-(2,4-dichlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110568879
3-(2,4-dichlorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylpyrrole-2,5-dione
CID 110568787
1-(5-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110570533
3-(2,4-dichlorophenyl)-1-methyl-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione
CID 110568220
2-(5-chloro-2-pyrrolidin-1-ylphenyl)isoindole-1,3-dione
CID 168517760

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-1-(2-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione?
The IUPAC name of 3-(2,4-dichlorophenyl)-1-(2-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione (CID 110568680) is 3-(2,4-dichlorophenyl)-1-(2-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-1-(2-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(2,4-dichlorophenyl)-1-(2-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione is O=C1C(c2ccc(Cl)cc2Cl)=C(N2CCCCC2)C(=O)N1c1ccccc1F.
What is the InChIKey of 3-(2,4-dichlorophenyl)-1-(2-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione?
The InChIKey is NEVSTHANFNEJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2FN2O2/c22-13-8-9-14(15(23)12-13)18-19(25-10-4-1-5-11-25)21(28)26(20(18)27)17-7-3-2-6-16(17)24/h2-3,6-9,12H,1,4-5,10-11H2.
What are the key properties of 3-(2,4-dichlorophenyl)-1-(2-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione?
3-(2,4-dichlorophenyl)-1-(2-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione has a molecular weight of 419.28 g/mol, XLogP of 4.90, 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-(2-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 110568680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).