4-(3-chloro-5-fluorophenyl)-3-(2-methylpropyl)piperidine-2,6-dione

C15H17ClFNO2 — CID 114455061

IUPAC4-(3-chloro-5-fluorophenyl)-3-(2-methylpropyl)piperidine-2,6-dione
SMILESCC(C)CC1C(=O)NC(=O)CC1c1cc(F)cc(Cl)c1
InChIInChI=1S/C15H17ClFNO2/c1-8(2)3-13-12(7-14(19)18-15(13)20)9-4-10(16)6-11(17)5-9/h4-6,8,12-13H,3,7H2,1-2H3,(H,18,19,20)
InChIKeyYYPYUGVOCIHCSW-UHFFFAOYSA-N
MW297.76 g/mol
LogP3.27
Rot. Bonds3

About 4-(3-chloro-5-fluorophenyl)-3-(2-methylpropyl)piperidine-2,6-dione

4-(3-chloro-5-fluorophenyl)-3-(2-methylpropyl)piperidine-2,6-dione (PubChem CID 114455061) has the molecular formula C15H17ClFNO2 and a molecular weight of 297.76 g/mol. Its IUPAC name is 4-(3-chloro-5-fluorophenyl)-3-(2-methylpropyl)piperidine-2,6-dione.

Molecular Properties

Compound Name4-(3-chloro-5-fluorophenyl)-3-(2-methylpropyl)piperidine-2,6-dione
PubChem CID114455061
Molecular FormulaC15H17ClFNO2
Molecular Weight297.76 g/mol
Exact Mass297.09
IUPAC Name4-(3-chloro-5-fluorophenyl)-3-(2-methylpropyl)piperidine-2,6-dione
SMILESCC(C)CC1C(=O)NC(=O)CC1c1cc(F)cc(Cl)c1
InChIInChI=1S/C15H17ClFNO2/c1-8(2)3-13-12(7-14(19)18-15(13)20)9-4-10(16)6-11(17)5-9/h4-6,8,12-13H,3,7H2,1-2H3,(H,18,19,20)
InChIKeyYYPYUGVOCIHCSW-UHFFFAOYSA-N
XLogP3.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.76
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-chloro-5-fluorophenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 114455063
4-(3,5-dimethylphenyl)-3-(2-methylpropyl)piperidine-2,6-dione
CID 79317570
4-(3-chloro-5-fluorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one
CID 114455007
3-(2-methylpropyl)-4-(4-methylsulfanylphenyl)piperidine-2,6-dione
CID 79317958
4-(3-chloro-4-methoxyphenyl)-3-(2-methylpropyl)piperidine-2,6-dione
CID 79309843
4-(3,5-difluorophenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 106534521
4-(6-methoxy-3-pyridinyl)-3-(2-methylpropyl)piperidine-2,6-dione
CID 114938878
3-ethyl-4-(3-fluorophenyl)piperidine-2,6-dione
CID 79320869
4-(4,5-dibromothiophen-2-yl)-3-(2-methylpropyl)piperidine-2,6-dione
CID 102845436
ethyl 3-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 105360365
4-(4-fluorophenyl)-3-propylpiperidine-2,6-dione
CID 79320357
4-cyclopropyl-3-(2-methylpropyl)piperidine-2,6-dione
CID 79318356

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-5-fluorophenyl)-3-(2-methylpropyl)piperidine-2,6-dione?
The IUPAC name of 4-(3-chloro-5-fluorophenyl)-3-(2-methylpropyl)piperidine-2,6-dione (CID 114455061) is 4-(3-chloro-5-fluorophenyl)-3-(2-methylpropyl)piperidine-2,6-dione.
What is the SMILES notation for 4-(3-chloro-5-fluorophenyl)-3-(2-methylpropyl)piperidine-2,6-dione?
The canonical SMILES for 4-(3-chloro-5-fluorophenyl)-3-(2-methylpropyl)piperidine-2,6-dione is CC(C)CC1C(=O)NC(=O)CC1c1cc(F)cc(Cl)c1.
What is the InChIKey of 4-(3-chloro-5-fluorophenyl)-3-(2-methylpropyl)piperidine-2,6-dione?
The InChIKey is YYPYUGVOCIHCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNO2/c1-8(2)3-13-12(7-14(19)18-15(13)20)9-4-10(16)6-11(17)5-9/h4-6,8,12-13H,3,7H2,1-2H3,(H,18,19,20).
What are the key properties of 4-(3-chloro-5-fluorophenyl)-3-(2-methylpropyl)piperidine-2,6-dione?
4-(3-chloro-5-fluorophenyl)-3-(2-methylpropyl)piperidine-2,6-dione has a molecular weight of 297.76 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-5-fluorophenyl)-3-(2-methylpropyl)piperidine-2,6-dione is sourced from PubChem (CID 114455061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).