1-cyclopropyl-3-[2-(3-fluorophenyl)ethylamino]pyrrolidine-2,5-dione

C15H17FN2O2 — CID 43636842

IUPAC1-cyclopropyl-3-[2-(3-fluorophenyl)ethylamino]pyrrolidine-2,5-dione
SMILESO=C1CC(NCCc2cccc(F)c2)C(=O)N1C1CC1
InChIInChI=1S/C15H17FN2O2/c16-11-3-1-2-10(8-11)6-7-17-13-9-14(19)18(15(13)20)12-4-5-12/h1-3,8,12-13,17H,4-7,9H2
InChIKeyOMYHZZMJHUGKBE-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.25
Rot. Bonds5

About 1-cyclopropyl-3-[2-(3-fluorophenyl)ethylamino]pyrrolidine-2,5-dione

1-cyclopropyl-3-[2-(3-fluorophenyl)ethylamino]pyrrolidine-2,5-dione (PubChem CID 43636842) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(3-fluorophenyl)ethylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(3-fluorophenyl)ethylamino]pyrrolidine-2,5-dione
PubChem CID43636842
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name1-cyclopropyl-3-[2-(3-fluorophenyl)ethylamino]pyrrolidine-2,5-dione
SMILESO=C1CC(NCCc2cccc(F)c2)C(=O)N1C1CC1
InChIInChI=1S/C15H17FN2O2/c16-11-3-1-2-10(8-11)6-7-17-13-9-14(19)18(15(13)20)12-4-5-12/h1-3,8,12-13,17H,4-7,9H2
InChIKeyOMYHZZMJHUGKBE-UHFFFAOYSA-N
XLogP1.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.25
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

3-[2-(3-fluorophenyl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636840
1-(3-fluorophenyl)-3-(2-pyridin-4-ylethylamino)pyrrolidine-2,5-dione
CID 3962498
3-[2-(5-chlorothiophen-2-yl)ethylamino]-1-cyclopropylpyrrolidine-2,5-dione
CID 106044348
3-[2-(3-fluorophenyl)ethylamino]azepan-2-one
CID 43420602
1-cyclopropyl-3-(2-phenylsulfanylethylamino)pyrrolidine-2,5-dione
CID 60976656
3-[(3-chloro-4-fluorophenyl)methylamino]-1-cyclopropylpyrrolidine-2,5-dione
CID 62537611
(3R)-3-[(3-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 1311152
1-cyclopentyl-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione
CID 43637482
1-cyclopropyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
CID 43636591
3-N-[2-(3-fluorophenyl)ethyl]cyclopentane-1,3-diamine
CID 79461214
3-[(4-bromophenyl)methylamino]-1-cyclopropylpyrrolidine-2,5-dione
CID 60779338
1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrrolidine-2,5-dione
CID 2850027

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(3-fluorophenyl)ethylamino]pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclopropyl-3-[2-(3-fluorophenyl)ethylamino]pyrrolidine-2,5-dione (CID 43636842) is 1-cyclopropyl-3-[2-(3-fluorophenyl)ethylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclopropyl-3-[2-(3-fluorophenyl)ethylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclopropyl-3-[2-(3-fluorophenyl)ethylamino]pyrrolidine-2,5-dione is O=C1CC(NCCc2cccc(F)c2)C(=O)N1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[2-(3-fluorophenyl)ethylamino]pyrrolidine-2,5-dione?
The InChIKey is OMYHZZMJHUGKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c16-11-3-1-2-10(8-11)6-7-17-13-9-14(19)18(15(13)20)12-4-5-12/h1-3,8,12-13,17H,4-7,9H2.
What are the key properties of 1-cyclopropyl-3-[2-(3-fluorophenyl)ethylamino]pyrrolidine-2,5-dione?
1-cyclopropyl-3-[2-(3-fluorophenyl)ethylamino]pyrrolidine-2,5-dione has a molecular weight of 276.31 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(3-fluorophenyl)ethylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 43636842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).