3-[2-(3-fluorophenyl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione

C15H19FN2O2 — CID 43636840

IUPAC3-[2-(3-fluorophenyl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)N1C(=O)CC(NCCc2cccc(F)c2)C1=O
InChIInChI=1S/C15H19FN2O2/c1-10(2)18-14(19)9-13(15(18)20)17-7-6-11-4-3-5-12(16)8-11/h3-5,8,10,13,17H,6-7,9H2,1-2H3
InChIKeyUTGAACXXEKKGGC-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.49
Rot. Bonds5

About 3-[2-(3-fluorophenyl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione

3-[2-(3-fluorophenyl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 43636840) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 3-[2-(3-fluorophenyl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[2-(3-fluorophenyl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione
PubChem CID43636840
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name3-[2-(3-fluorophenyl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)N1C(=O)CC(NCCc2cccc(F)c2)C1=O
InChIInChI=1S/C15H19FN2O2/c1-10(2)18-14(19)9-13(15(18)20)17-7-6-11-4-3-5-12(16)8-11/h3-5,8,10,13,17H,6-7,9H2,1-2H3
InChIKeyUTGAACXXEKKGGC-UHFFFAOYSA-N
XLogP1.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.49
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

1-cyclopropyl-3-[2-(3-fluorophenyl)ethylamino]pyrrolidine-2,5-dione
CID 43636842
1-butan-2-yl-3-(2-phenylethylamino)pyrrolidine-2,5-dione
CID 43638139
1-propan-2-yl-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione
CID 43636523
1-(3-fluorophenyl)-3-(2-pyridin-4-ylethylamino)pyrrolidine-2,5-dione
CID 3962498
1-butan-2-yl-3-(2-pyridin-3-ylethylamino)pyrrolidine-2,5-dione
CID 60914432
3-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 106104440
3-[(4-bromophenyl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 60779639
3-[(2-ethylphenyl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 64681148
(3R)-3-[(3-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 1311152
(2S)-2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 31737906
3-[2-(3-fluorophenyl)ethylamino]azepan-2-one
CID 43420602
3-[2-[cyclopropyl(methyl)amino]ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 62976653

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluorophenyl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-[2-(3-fluorophenyl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione (CID 43636840) is 3-[2-(3-fluorophenyl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[2-(3-fluorophenyl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[2-(3-fluorophenyl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione is CC(C)N1C(=O)CC(NCCc2cccc(F)c2)C1=O.
What is the InChIKey of 3-[2-(3-fluorophenyl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is UTGAACXXEKKGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-10(2)18-14(19)9-13(15(18)20)17-7-6-11-4-3-5-12(16)8-11/h3-5,8,10,13,17H,6-7,9H2,1-2H3.
What are the key properties of 3-[2-(3-fluorophenyl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione?
3-[2-(3-fluorophenyl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 278.33 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluorophenyl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 43636840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).