4-(3-chloro-5-fluorophenyl)-3-propan-2-ylpiperidine-2,6-dione

C14H15ClFNO2 — CID 114455063

IUPAC4-(3-chloro-5-fluorophenyl)-3-propan-2-ylpiperidine-2,6-dione
SMILESCC(C)C1C(=O)NC(=O)CC1c1cc(F)cc(Cl)c1
InChIInChI=1S/C14H15ClFNO2/c1-7(2)13-11(6-12(18)17-14(13)19)8-3-9(15)5-10(16)4-8/h3-5,7,11,13H,6H2,1-2H3,(H,17,18,19)
InChIKeyHQNUQQVDKBTNFW-UHFFFAOYSA-N
MW283.73 g/mol
LogP2.88
Rot. Bonds2

About 4-(3-chloro-5-fluorophenyl)-3-propan-2-ylpiperidine-2,6-dione

4-(3-chloro-5-fluorophenyl)-3-propan-2-ylpiperidine-2,6-dione (PubChem CID 114455063) has the molecular formula C14H15ClFNO2 and a molecular weight of 283.73 g/mol. Its IUPAC name is 4-(3-chloro-5-fluorophenyl)-3-propan-2-ylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-(3-chloro-5-fluorophenyl)-3-propan-2-ylpiperidine-2,6-dione
PubChem CID114455063
Molecular FormulaC14H15ClFNO2
Molecular Weight283.73 g/mol
Exact Mass283.08
IUPAC Name4-(3-chloro-5-fluorophenyl)-3-propan-2-ylpiperidine-2,6-dione
SMILESCC(C)C1C(=O)NC(=O)CC1c1cc(F)cc(Cl)c1
InChIInChI=1S/C14H15ClFNO2/c1-7(2)13-11(6-12(18)17-14(13)19)8-3-9(15)5-10(16)4-8/h3-5,7,11,13H,6H2,1-2H3,(H,17,18,19)
InChIKeyHQNUQQVDKBTNFW-UHFFFAOYSA-N
XLogP2.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.73
LogP ≤ 52.88
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-(3,5-difluorophenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 106534521
4-(3-chloro-5-fluorophenyl)-3-(2-methylpropyl)piperidine-2,6-dione
CID 114455061
4-(3-chlorophenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 79320660
4-(3,4-dichlorophenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 79320854
4-(3,5-dimethoxyphenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 79310299
4-(3-chloro-5-fluorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one
CID 114455007
4-phenyl-3-propan-2-ylpiperidine-2,6-dione
CID 79321338
4-(2,6-difluorophenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 79320367
4-(2,4-difluorophenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 79321149
4-(4-tert-butylphenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 79310088
4-(4-ethylphenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 79320168
3-propan-2-yl-4-thiophen-3-ylpiperidine-2,6-dione
CID 79321429

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-5-fluorophenyl)-3-propan-2-ylpiperidine-2,6-dione?
The IUPAC name of 4-(3-chloro-5-fluorophenyl)-3-propan-2-ylpiperidine-2,6-dione (CID 114455063) is 4-(3-chloro-5-fluorophenyl)-3-propan-2-ylpiperidine-2,6-dione.
What is the SMILES notation for 4-(3-chloro-5-fluorophenyl)-3-propan-2-ylpiperidine-2,6-dione?
The canonical SMILES for 4-(3-chloro-5-fluorophenyl)-3-propan-2-ylpiperidine-2,6-dione is CC(C)C1C(=O)NC(=O)CC1c1cc(F)cc(Cl)c1.
What is the InChIKey of 4-(3-chloro-5-fluorophenyl)-3-propan-2-ylpiperidine-2,6-dione?
The InChIKey is HQNUQQVDKBTNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO2/c1-7(2)13-11(6-12(18)17-14(13)19)8-3-9(15)5-10(16)4-8/h3-5,7,11,13H,6H2,1-2H3,(H,17,18,19).
What are the key properties of 4-(3-chloro-5-fluorophenyl)-3-propan-2-ylpiperidine-2,6-dione?
4-(3-chloro-5-fluorophenyl)-3-propan-2-ylpiperidine-2,6-dione has a molecular weight of 283.73 g/mol, XLogP of 2.88, 2 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-propan-2-ylpiperidine-2,6-dione is sourced from PubChem (CID 114455063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).