1-(3-chloro-4-fluorophenyl)-4-ethyl-4-methylpiperidine-2,6-dione

C14H15ClFNO2 — CID 2732407

IUPAC1-(3-chloro-4-fluorophenyl)-4-ethyl-4-methylpiperidine-2,6-dione
SMILESCCC1(C)CC(=O)N(c2ccc(F)c(Cl)c2)C(=O)C1
InChIInChI=1S/C14H15ClFNO2/c1-3-14(2)7-12(18)17(13(19)8-14)9-4-5-11(16)10(15)6-9/h4-6H,3,7-8H2,1-2H3
InChIKeyDDLZPBKVXXYIMN-UHFFFAOYSA-N
MW283.73 g/mol
LogP3.55
Rot. Bonds2

About 1-(3-chloro-4-fluorophenyl)-4-ethyl-4-methylpiperidine-2,6-dione

1-(3-chloro-4-fluorophenyl)-4-ethyl-4-methylpiperidine-2,6-dione (PubChem CID 2732407) has the molecular formula C14H15ClFNO2 and a molecular weight of 283.73 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-4-ethyl-4-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-4-ethyl-4-methylpiperidine-2,6-dione
PubChem CID2732407
Molecular FormulaC14H15ClFNO2
Molecular Weight283.73 g/mol
Exact Mass283.08
IUPAC Name1-(3-chloro-4-fluorophenyl)-4-ethyl-4-methylpiperidine-2,6-dione
SMILESCCC1(C)CC(=O)N(c2ccc(F)c(Cl)c2)C(=O)C1
InChIInChI=1S/C14H15ClFNO2/c1-3-14(2)7-12(18)17(13(19)8-14)9-4-5-11(16)10(15)6-9/h4-6H,3,7-8H2,1-2H3
InChIKeyDDLZPBKVXXYIMN-UHFFFAOYSA-N
XLogP3.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.73
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Procymidone
CID 36242
1-(3,5-Dichlorophenyl)-4,4-dimethylpiperidine-2,6-dione
CID 2732368
1-(3-Chloro-4-methylphenyl)-4,4-dimethylpiperidine-2,6-dione
CID 4580288
1-(3-Chlorophenyl)-4,4-dimethylpiperidine-2,6-dione
CID 2732475
1-(2,4-Dichlorophenyl)-4,4-dimethylpiperidine-2,6-dione
CID 2732477
1-(2,5-Dichlorophenyl)-4,4-dimethylpiperidine-2,6-dione
CID 2732479
1-(5-Chloro-2-methylphenyl)-4,4-dimethylpiperidine-2,6-dione
CID 2732488
1-(3-Chloro-4-fluorophenyl)-3-methylpyrrole-2,5-dione
CID 2732205
N-(4-Chlorophenyl)glutarimide
CID 2732366
N-(3-chloro-4-fluorophenyl)-3-methylbutanamide
CID 849199
N-(3-chloro-4-fluorophenyl)-2-methylpentanamide
CID 2905161
1-(3,4-Dichlorophenyl)-4,4-dimethylpiperidine-2,6-dione
CID 2732481

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-4-ethyl-4-methylpiperidine-2,6-dione?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-4-ethyl-4-methylpiperidine-2,6-dione (CID 2732407) is 1-(3-chloro-4-fluorophenyl)-4-ethyl-4-methylpiperidine-2,6-dione.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-4-ethyl-4-methylpiperidine-2,6-dione?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-4-ethyl-4-methylpiperidine-2,6-dione is CCC1(C)CC(=O)N(c2ccc(F)c(Cl)c2)C(=O)C1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-4-ethyl-4-methylpiperidine-2,6-dione?
The InChIKey is DDLZPBKVXXYIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO2/c1-3-14(2)7-12(18)17(13(19)8-14)9-4-5-11(16)10(15)6-9/h4-6H,3,7-8H2,1-2H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-4-ethyl-4-methylpiperidine-2,6-dione?
1-(3-chloro-4-fluorophenyl)-4-ethyl-4-methylpiperidine-2,6-dione has a molecular weight of 283.73 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-4-ethyl-4-methylpiperidine-2,6-dione is sourced from PubChem (CID 2732407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).