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

C15H19FN2O2 — CID 60933603

IUPAC3-[1-(2-fluorophenyl)ethylamino]-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(NC(C)c2ccccc2F)C1=O
InChIInChI=1S/C15H19FN2O2/c1-3-8-18-14(19)9-13(15(18)20)17-10(2)11-6-4-5-7-12(11)16/h4-7,10,13,17H,3,8-9H2,1-2H3
InChIKeyOCXMXUICZVSXJS-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.01
Rot. Bonds5

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

3-[1-(2-fluorophenyl)ethylamino]-1-propylpyrrolidine-2,5-dione (PubChem CID 60933603) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 3-[1-(2-fluorophenyl)ethylamino]-1-propylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[1-(2-fluorophenyl)ethylamino]-1-propylpyrrolidine-2,5-dione
PubChem CID60933603
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name3-[1-(2-fluorophenyl)ethylamino]-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(NC(C)c2ccccc2F)C1=O
InChIInChI=1S/C15H19FN2O2/c1-3-8-18-14(19)9-13(15(18)20)17-10(2)11-6-4-5-7-12(11)16/h4-7,10,13,17H,3,8-9H2,1-2H3
InChIKeyOCXMXUICZVSXJS-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
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-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-1-methylpyrrolidine-2,5-dione
CID 107358021
3-(1-phenylpropan-2-ylamino)-1-propylpyrrolidine-2,5-dione
CID 63011257
3-[1-(5-methylthiophen-2-yl)ethylamino]-1-propylpyrrolidine-2,5-dione
CID 61473514
3-(4-methylpentan-2-ylamino)-1-propylpyrrolidine-2,5-dione
CID 43636728
1-ethyl-3-(1-phenylethylamino)pyrrolidine-2,5-dione
CID 43636150
3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]pyrrolidine-2,5-dione
CID 81379800
3-(2,5-difluoro-4-methylanilino)-1-propylpyrrolidine-2,5-dione
CID 103585414
2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-6-fluorobenzonitrile
CID 43636859
1-propyl-3-(3,4,5-trifluoroanilino)pyrrolidine-2,5-dione
CID 62809172
3-[[(1S)-1-(2-bromophenyl)ethyl]amino]-1-methylpyrrolidine-2,5-dione
CID 107358023
3-[1-(5-bromo-2-fluorophenyl)ethylamino]-1-methylpyrrolidine-2,5-dione
CID 82963421
1-propyl-3-(pyridin-2-ylmethylamino)pyrrolidine-2,5-dione
CID 43636248

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluorophenyl)ethylamino]-1-propylpyrrolidine-2,5-dione?
The IUPAC name of 3-[1-(2-fluorophenyl)ethylamino]-1-propylpyrrolidine-2,5-dione (CID 60933603) is 3-[1-(2-fluorophenyl)ethylamino]-1-propylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[1-(2-fluorophenyl)ethylamino]-1-propylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[1-(2-fluorophenyl)ethylamino]-1-propylpyrrolidine-2,5-dione is CCCN1C(=O)CC(NC(C)c2ccccc2F)C1=O.
What is the InChIKey of 3-[1-(2-fluorophenyl)ethylamino]-1-propylpyrrolidine-2,5-dione?
The InChIKey is OCXMXUICZVSXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-3-8-18-14(19)9-13(15(18)20)17-10(2)11-6-4-5-7-12(11)16/h4-7,10,13,17H,3,8-9H2,1-2H3.
What are the key properties of 3-[1-(2-fluorophenyl)ethylamino]-1-propylpyrrolidine-2,5-dione?
3-[1-(2-fluorophenyl)ethylamino]-1-propylpyrrolidine-2,5-dione has a molecular weight of 278.33 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluorophenyl)ethylamino]-1-propylpyrrolidine-2,5-dione is sourced from PubChem (CID 60933603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).