3,5-bis(2-chlorophenyl)-1-(3-chlorophenyl)piperidine-2,6-dione

C23H16Cl3NO2 — CID 57402164

IUPAC3,5-bis(2-chlorophenyl)-1-(3-chlorophenyl)piperidine-2,6-dione
SMILESO=C1C(c2ccccc2Cl)CC(c2ccccc2Cl)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C23H16Cl3NO2/c24-14-6-5-7-15(12-14)27-22(28)18(16-8-1-3-10-20(16)25)13-19(23(27)29)17-9-2-4-11-21(17)26/h1-12,18-19H,13H2
InChIKeyWWFMKOJKVPUMHA-UHFFFAOYSA-N
MW444.75 g/mol
LogP6.48
Rot. Bonds3

About 3,5-bis(2-chlorophenyl)-1-(3-chlorophenyl)piperidine-2,6-dione

3,5-bis(2-chlorophenyl)-1-(3-chlorophenyl)piperidine-2,6-dione (PubChem CID 57402164) has the molecular formula C23H16Cl3NO2 and a molecular weight of 444.75 g/mol. Its IUPAC name is 3,5-bis(2-chlorophenyl)-1-(3-chlorophenyl)piperidine-2,6-dione.

Molecular Properties

Compound Name3,5-bis(2-chlorophenyl)-1-(3-chlorophenyl)piperidine-2,6-dione
PubChem CID57402164
Molecular FormulaC23H16Cl3NO2
Molecular Weight444.75 g/mol
Exact Mass443.02
IUPAC Name3,5-bis(2-chlorophenyl)-1-(3-chlorophenyl)piperidine-2,6-dione
SMILESO=C1C(c2ccccc2Cl)CC(c2ccccc2Cl)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C23H16Cl3NO2/c24-14-6-5-7-15(12-14)27-22(28)18(16-8-1-3-10-20(16)25)13-19(23(27)29)17-9-2-4-11-21(17)26/h1-12,18-19H,13H2
InChIKeyWWFMKOJKVPUMHA-UHFFFAOYSA-N
XLogP6.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.75
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2-chlorophenyl)-1-(3-chlorophenyl)piperidine-2,6-dione?
The IUPAC name of 3,5-bis(2-chlorophenyl)-1-(3-chlorophenyl)piperidine-2,6-dione (CID 57402164) is 3,5-bis(2-chlorophenyl)-1-(3-chlorophenyl)piperidine-2,6-dione.
What is the SMILES notation for 3,5-bis(2-chlorophenyl)-1-(3-chlorophenyl)piperidine-2,6-dione?
The canonical SMILES for 3,5-bis(2-chlorophenyl)-1-(3-chlorophenyl)piperidine-2,6-dione is O=C1C(c2ccccc2Cl)CC(c2ccccc2Cl)C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of 3,5-bis(2-chlorophenyl)-1-(3-chlorophenyl)piperidine-2,6-dione?
The InChIKey is WWFMKOJKVPUMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl3NO2/c24-14-6-5-7-15(12-14)27-22(28)18(16-8-1-3-10-20(16)25)13-19(23(27)29)17-9-2-4-11-21(17)26/h1-12,18-19H,13H2.
What are the key properties of 3,5-bis(2-chlorophenyl)-1-(3-chlorophenyl)piperidine-2,6-dione?
3,5-bis(2-chlorophenyl)-1-(3-chlorophenyl)piperidine-2,6-dione has a molecular weight of 444.75 g/mol, XLogP of 6.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2-chlorophenyl)-1-(3-chlorophenyl)piperidine-2,6-dione is sourced from PubChem (CID 57402164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).