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

C21H18ClFN2O2 — CID 110545231

IUPAC1-(3-chlorophenyl)-3-(4-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione
SMILESO=C1C(c2ccc(F)cc2)=C(N2CCCCC2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C21H18ClFN2O2/c22-15-5-4-6-17(13-15)25-20(26)18(14-7-9-16(23)10-8-14)19(21(25)27)24-11-2-1-3-12-24/h4-10,13H,1-3,11-12H2
InChIKeyXVBKEWWMKAMRFB-UHFFFAOYSA-N
MW384.84 g/mol
LogP4.25
Rot. Bonds3

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

1-(3-chlorophenyl)-3-(4-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione (PubChem CID 110545231) has the molecular formula C21H18ClFN2O2 and a molecular weight of 384.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(4-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(4-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione
PubChem CID110545231
Molecular FormulaC21H18ClFN2O2
Molecular Weight384.84 g/mol
Exact Mass384.10
IUPAC Name1-(3-chlorophenyl)-3-(4-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione
SMILESO=C1C(c2ccc(F)cc2)=C(N2CCCCC2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C21H18ClFN2O2/c22-15-5-4-6-17(13-15)25-20(26)18(14-7-9-16(23)10-8-14)19(21(25)27)24-11-2-1-3-12-24/h4-10,13H,1-3,11-12H2
InChIKeyXVBKEWWMKAMRFB-UHFFFAOYSA-N
XLogP4.25
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 54.25
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-(3-chlorophenyl)-3-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110545239
1-(3-chlorophenyl)-3-(4-fluorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrole-2,5-dione
CID 110545241
3-(4-chlorophenyl)-4-pyrrolidin-1-yl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110570484
1,3-diphenyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 22728644
1-[4-(dimethylamino)phenyl]-3-(4-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110543115
1,3-bis(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione
CID 110544646
1-(2,3-dimethylphenyl)-3-(4-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110545069
1-[4-(dimethylamino)phenyl]-3-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110543119
1-(3-fluorophenyl)-3-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110544563
1-(3-fluorophenyl)-3-(4-propoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110577233
1-(3,5-dichlorophenyl)-3-(4-methoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110557226
1-[3-(dimethylamino)phenyl]-3-(4-methylphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110574629

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(4-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione?
The IUPAC name of 1-(3-chlorophenyl)-3-(4-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione (CID 110545231) is 1-(3-chlorophenyl)-3-(4-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(4-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione?
The canonical SMILES for 1-(3-chlorophenyl)-3-(4-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione is O=C1C(c2ccc(F)cc2)=C(N2CCCCC2)C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(4-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione?
The InChIKey is XVBKEWWMKAMRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O2/c22-15-5-4-6-17(13-15)25-20(26)18(14-7-9-16(23)10-8-14)19(21(25)27)24-11-2-1-3-12-24/h4-10,13H,1-3,11-12H2.
What are the key properties of 1-(3-chlorophenyl)-3-(4-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione?
1-(3-chlorophenyl)-3-(4-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione has a molecular weight of 384.84 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(4-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 110545231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).