4-amino-1-(4-fluorobenzoyl)pyrrolidin-2-one

C11H11FN2O2 — CID 112534687

IUPAC4-amino-1-(4-fluorobenzoyl)pyrrolidin-2-one
SMILESNC1CC(=O)N(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C11H11FN2O2/c12-8-3-1-7(2-4-8)11(16)14-6-9(13)5-10(14)15/h1-4,9H,5-6,13H2
InChIKeyAUGXOBCUDABYFO-UHFFFAOYSA-N
MW222.22 g/mol
LogP0.53
Rot. Bonds1

About 4-amino-1-(4-fluorobenzoyl)pyrrolidin-2-one

4-amino-1-(4-fluorobenzoyl)pyrrolidin-2-one (PubChem CID 112534687) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is 4-amino-1-(4-fluorobenzoyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(4-fluorobenzoyl)pyrrolidin-2-one
PubChem CID112534687
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name4-amino-1-(4-fluorobenzoyl)pyrrolidin-2-one
SMILESNC1CC(=O)N(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C11H11FN2O2/c12-8-3-1-7(2-4-8)11(16)14-6-9(13)5-10(14)15/h1-4,9H,5-6,13H2
InChIKeyAUGXOBCUDABYFO-UHFFFAOYSA-N
XLogP0.53
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-benzoylpyrrolidin-2-one
CID 112534683
4-amino-1-(4-ethoxybenzoyl)pyrrolidin-2-one
CID 112534737
1-(4-fluorobenzoyl)pyrrolidine-2,5-dione
CID 790945
3-benzoyl-3-azabicyclo[4.1.0]heptan-4-one
CID 23466259
3-chloro-1-(4-fluorobenzoyl)azepan-2-one
CID 3815001
1-(4-bromobenzoyl)-4-propan-2-ylpyrrolidin-2-one
CID 104511984
4-tert-butyl-1-(3,4,5-trifluorobenzoyl)pyrrolidin-2-one
CID 104511745
[(3aR,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-(4-fluorophenyl)methanone
CID 97377908
2-(4-fluorobenzoyl)-3H-isoindol-1-one
CID 24763674
(4-aminopiperidin-1-yl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 119372894
1-(3-bromo-4-fluorobenzoyl)-4-propan-2-ylpyrrolidin-2-one
CID 114020128
4-amino-1-(4-fluoro-2-methylphenyl)pyrrolidin-2-one
CID 43521142

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-fluorobenzoyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(4-fluorobenzoyl)pyrrolidin-2-one (CID 112534687) is 4-amino-1-(4-fluorobenzoyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(4-fluorobenzoyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(4-fluorobenzoyl)pyrrolidin-2-one is NC1CC(=O)N(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 4-amino-1-(4-fluorobenzoyl)pyrrolidin-2-one?
The InChIKey is AUGXOBCUDABYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c12-8-3-1-7(2-4-8)11(16)14-6-9(13)5-10(14)15/h1-4,9H,5-6,13H2.
What are the key properties of 4-amino-1-(4-fluorobenzoyl)pyrrolidin-2-one?
4-amino-1-(4-fluorobenzoyl)pyrrolidin-2-one has a molecular weight of 222.22 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-fluorobenzoyl)pyrrolidin-2-one is sourced from PubChem (CID 112534687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).