3-(3-fluoroanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione

C13H13FN2O3 — CID 16647947

IUPAC3-(3-fluoroanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione
SMILESCOCCN1C(=O)C=C(Nc2cccc(F)c2)C1=O
InChIInChI=1S/C13H13FN2O3/c1-19-6-5-16-12(17)8-11(13(16)18)15-10-4-2-3-9(14)7-10/h2-4,7-8,15H,5-6H2,1H3
InChIKeyNAAQALNHIBJQDP-UHFFFAOYSA-N
MW264.26 g/mol
LogP1.14
Rot. Bonds5

About 3-(3-fluoroanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione

3-(3-fluoroanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione (PubChem CID 16647947) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is 3-(3-fluoroanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3-fluoroanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione
PubChem CID16647947
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Name3-(3-fluoroanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione
SMILESCOCCN1C(=O)C=C(Nc2cccc(F)c2)C1=O
InChIInChI=1S/C13H13FN2O3/c1-19-6-5-16-12(17)8-11(13(16)18)15-10-4-2-3-9(14)7-10/h2-4,7-8,15H,5-6H2,1H3
InChIKeyNAAQALNHIBJQDP-UHFFFAOYSA-N
XLogP1.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-fluoroanilino)-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione
CID 110594588
1-(2-methoxyethyl)-3-(4-methyl-3-nitroanilino)pyrrole-2,5-dione
CID 16647955
1-(2-methoxyethyl)-3-(4-nitroanilino)pyrrole-2,5-dione
CID 16647996
3-(2,4-dimethylanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione
CID 16647944
3-[3-(3-fluoro-4-methoxyphenyl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168557935
3-(2,5-dimethoxyanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione
CID 16647932
3-[5-fluoro-2-(2-methoxyethoxy)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168559194
3-[3,5-difluoro-4-(2-methoxyethoxy)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168557525
3-(3-fluoroanilino)-4-(4-fluorophenyl)-1-(3-methoxypropyl)pyrrole-2,5-dione
CID 110586363
3-[3-(dimethylamino)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168556942
3-(3-chloroanilino)-1-ethylpyrrole-2,5-dione
CID 16647844
3-(3-bromoanilino)-1-ethylpyrrole-2,5-dione
CID 16647846

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoroanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione?
The IUPAC name of 3-(3-fluoroanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione (CID 16647947) is 3-(3-fluoroanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(3-fluoroanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(3-fluoroanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione is COCCN1C(=O)C=C(Nc2cccc(F)c2)C1=O.
What is the InChIKey of 3-(3-fluoroanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione?
The InChIKey is NAAQALNHIBJQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3/c1-19-6-5-16-12(17)8-11(13(16)18)15-10-4-2-3-9(14)7-10/h2-4,7-8,15H,5-6H2,1H3.
What are the key properties of 3-(3-fluoroanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione?
3-(3-fluoroanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione has a molecular weight of 264.26 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoroanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione is sourced from PubChem (CID 16647947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).