3-[(2-chloro-3-fluorophenyl)methylamino]piperidine-2,6-dione

C12H12ClFN2O2 — CID 112652138

IUPAC3-[(2-chloro-3-fluorophenyl)methylamino]piperidine-2,6-dione
SMILESO=C1CCC(NCc2cccc(F)c2Cl)C(=O)N1
InChIInChI=1S/C12H12ClFN2O2/c13-11-7(2-1-3-8(11)14)6-15-9-4-5-10(17)16-12(9)18/h1-3,9,15H,4-6H2,(H,16,17,18)
InChIKeyYBBXJIKOOOMDSO-UHFFFAOYSA-N
MW270.69 g/mol
LogP1.37
Rot. Bonds3

About 3-[(2-chloro-3-fluorophenyl)methylamino]piperidine-2,6-dione

3-[(2-chloro-3-fluorophenyl)methylamino]piperidine-2,6-dione (PubChem CID 112652138) has the molecular formula C12H12ClFN2O2 and a molecular weight of 270.69 g/mol. Its IUPAC name is 3-[(2-chloro-3-fluorophenyl)methylamino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(2-chloro-3-fluorophenyl)methylamino]piperidine-2,6-dione
PubChem CID112652138
Molecular FormulaC12H12ClFN2O2
Molecular Weight270.69 g/mol
Exact Mass270.06
IUPAC Name3-[(2-chloro-3-fluorophenyl)methylamino]piperidine-2,6-dione
SMILESO=C1CCC(NCc2cccc(F)c2Cl)C(=O)N1
InChIInChI=1S/C12H12ClFN2O2/c13-11-7(2-1-3-8(11)14)6-15-9-4-5-10(17)16-12(9)18/h1-3,9,15H,4-6H2,(H,16,17,18)
InChIKeyYBBXJIKOOOMDSO-UHFFFAOYSA-N
XLogP1.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.69
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(2-chloro-3-fluorophenyl)methylamino]piperidine-2,6-dione?
The IUPAC name of 3-[(2-chloro-3-fluorophenyl)methylamino]piperidine-2,6-dione (CID 112652138) is 3-[(2-chloro-3-fluorophenyl)methylamino]piperidine-2,6-dione.
What is the SMILES notation for 3-[(2-chloro-3-fluorophenyl)methylamino]piperidine-2,6-dione?
The canonical SMILES for 3-[(2-chloro-3-fluorophenyl)methylamino]piperidine-2,6-dione is O=C1CCC(NCc2cccc(F)c2Cl)C(=O)N1.
What is the InChIKey of 3-[(2-chloro-3-fluorophenyl)methylamino]piperidine-2,6-dione?
The InChIKey is YBBXJIKOOOMDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O2/c13-11-7(2-1-3-8(11)14)6-15-9-4-5-10(17)16-12(9)18/h1-3,9,15H,4-6H2,(H,16,17,18).
What are the key properties of 3-[(2-chloro-3-fluorophenyl)methylamino]piperidine-2,6-dione?
3-[(2-chloro-3-fluorophenyl)methylamino]piperidine-2,6-dione has a molecular weight of 270.69 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-3-fluorophenyl)methylamino]piperidine-2,6-dione is sourced from PubChem (CID 112652138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).