4-(4-chloro-2-fluorophenyl)-3-propylpiperidine-2,6-dione

C14H15ClFNO2 — CID 114867243

IUPAC4-(4-chloro-2-fluorophenyl)-3-propylpiperidine-2,6-dione
SMILESCCCC1C(=O)NC(=O)CC1c1ccc(Cl)cc1F
InChIInChI=1S/C14H15ClFNO2/c1-2-3-10-11(7-13(18)17-14(10)19)9-5-4-8(15)6-12(9)16/h4-6,10-11H,2-3,7H2,1H3,(H,17,18,19)
InChIKeyCXCMVRYLPDJUEI-UHFFFAOYSA-N
MW283.73 g/mol
LogP3.03
Rot. Bonds3

About 4-(4-chloro-2-fluorophenyl)-3-propylpiperidine-2,6-dione

4-(4-chloro-2-fluorophenyl)-3-propylpiperidine-2,6-dione (PubChem CID 114867243) has the molecular formula C14H15ClFNO2 and a molecular weight of 283.73 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)-3-propylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenyl)-3-propylpiperidine-2,6-dione
PubChem CID114867243
Molecular FormulaC14H15ClFNO2
Molecular Weight283.73 g/mol
Exact Mass283.08
IUPAC Name4-(4-chloro-2-fluorophenyl)-3-propylpiperidine-2,6-dione
SMILESCCCC1C(=O)NC(=O)CC1c1ccc(Cl)cc1F
InChIInChI=1S/C14H15ClFNO2/c1-2-3-10-11(7-13(18)17-14(10)19)9-5-4-8(15)6-12(9)16/h4-6,10-11H,2-3,7H2,1H3,(H,17,18,19)
InChIKeyCXCMVRYLPDJUEI-UHFFFAOYSA-N
XLogP3.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.73
LogP ≤ 53.03
H-Bond Donors ≤ 51
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 4-(4-chloro-2-fluorophenyl)-3-propylpiperidine-2,6-dione?
The IUPAC name of 4-(4-chloro-2-fluorophenyl)-3-propylpiperidine-2,6-dione (CID 114867243) is 4-(4-chloro-2-fluorophenyl)-3-propylpiperidine-2,6-dione.
What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)-3-propylpiperidine-2,6-dione?
The canonical SMILES for 4-(4-chloro-2-fluorophenyl)-3-propylpiperidine-2,6-dione is CCCC1C(=O)NC(=O)CC1c1ccc(Cl)cc1F.
What is the InChIKey of 4-(4-chloro-2-fluorophenyl)-3-propylpiperidine-2,6-dione?
The InChIKey is CXCMVRYLPDJUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO2/c1-2-3-10-11(7-13(18)17-14(10)19)9-5-4-8(15)6-12(9)16/h4-6,10-11H,2-3,7H2,1H3,(H,17,18,19).
What are the key properties of 4-(4-chloro-2-fluorophenyl)-3-propylpiperidine-2,6-dione?
4-(4-chloro-2-fluorophenyl)-3-propylpiperidine-2,6-dione has a molecular weight of 283.73 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenyl)-3-propylpiperidine-2,6-dione is sourced from PubChem (CID 114867243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).