3-(azepan-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione

C16H19FN2O2 — CID 2942402

IUPAC3-(azepan-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCCCCC2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C16H19FN2O2/c17-12-5-7-13(8-6-12)19-15(20)11-14(16(19)21)18-9-3-1-2-4-10-18/h5-8,14H,1-4,9-11H2
InChIKeyPPSILBHHHONORU-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.33
Rot. Bonds2

About 3-(azepan-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione

3-(azepan-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione (PubChem CID 2942402) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 3-(azepan-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(azepan-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
PubChem CID2942402
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name3-(azepan-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCCCCC2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C16H19FN2O2/c17-12-5-7-13(8-6-12)19-15(20)11-14(16(19)21)18-9-3-1-2-4-10-18/h5-8,14H,1-4,9-11H2
InChIKeyPPSILBHHHONORU-UHFFFAOYSA-N
XLogP2.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Phenyl-2-piperidinosuccinimide
CID 250855
1-[3-[4-(4-Fluorophenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 9904604
Felipyrine
CID 71108
N-(4-Fluorophenyl)succinimide
CID 670631
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-hydroxyheptanamide
CID 3719436
3-Anilino-1-phenylsuccinimide
CID 2792660
3-[4-(4-Fluorophenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 2833555
1-(4-Fluorophenyl)-3-(4-thiomorpholinyl)-2,5-pyrrolidinedione
CID 2854685
4-(1-Azepanylcarbonyl)-1-phenyl-2-pyrrolidinone
CID 2978143
1-Benzyl-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2988908
N-(3-fluorophenyl)-2-[methyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetamide
CID 4881886
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-hydroxyhexanamide
CID 664797

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(azepan-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione (CID 2942402) is 3-(azepan-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(azepan-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(azepan-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione is O=C1CC(N2CCCCCC2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 3-(azepan-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
The InChIKey is PPSILBHHHONORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c17-12-5-7-13(8-6-12)19-15(20)11-14(16(19)21)18-9-3-1-2-4-10-18/h5-8,14H,1-4,9-11H2.
What are the key properties of 3-(azepan-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
3-(azepan-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione has a molecular weight of 290.34 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2942402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).