1-(2-ethoxyphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione

C18H17FN2O3 — CID 43844668

IUPAC1-(2-ethoxyphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
SMILESCCOc1ccccc1N1C(=O)CC(Nc2ccccc2F)C1=O
InChIInChI=1S/C18H17FN2O3/c1-2-24-16-10-6-5-9-15(16)21-17(22)11-14(18(21)23)20-13-8-4-3-7-12(13)19/h3-10,14,20H,2,11H2,1H3
InChIKeySUBTZPMOABILCW-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.97
Rot. Bonds5

About 1-(2-ethoxyphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione

1-(2-ethoxyphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione (PubChem CID 43844668) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
PubChem CID43844668
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name1-(2-ethoxyphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
SMILESCCOc1ccccc1N1C(=O)CC(Nc2ccccc2F)C1=O
InChIInChI=1S/C18H17FN2O3/c1-2-24-16-10-6-5-9-15(16)21-17(22)11-14(18(21)23)20-13-8-4-3-7-12(13)19/h3-10,14,20H,2,11H2,1H3
InChIKeySUBTZPMOABILCW-UHFFFAOYSA-N
XLogP2.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.97
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-(2-fluoroanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 43844574
3-(2-ethoxyanilino)-1-(2-ethylphenyl)pyrrolidine-2,5-dione
CID 43844529
(3R)-3-(2-ethoxyanilino)-1-(2-methylphenyl)pyrrolidine-2,5-dione
CID 51859878
(3R)-1-(2-ethoxyphenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione
CID 98188169
(3R)-1-(4-chlorophenyl)-3-(2-ethoxyanilino)pyrrolidine-2,5-dione
CID 51860298
1-(2-chlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 43844780
(3R)-1-(2,4-dimethoxyphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 98188163
(3S)-3-(2-ethoxyanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 51860069
(3S)-1-(2-fluorophenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
CID 93235246
(3S)-1-(4-ethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 51860070
(3R)-1-(2,3-dichlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 51860353
3-(2-ethoxyanilino)-1-ethylpyrrolidine-2,5-dione
CID 43411500

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(2-ethoxyphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione (CID 43844668) is 1-(2-ethoxyphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione is CCOc1ccccc1N1C(=O)CC(Nc2ccccc2F)C1=O.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione?
The InChIKey is SUBTZPMOABILCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-2-24-16-10-6-5-9-15(16)21-17(22)11-14(18(21)23)20-13-8-4-3-7-12(13)19/h3-10,14,20H,2,11H2,1H3.
What are the key properties of 1-(2-ethoxyphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione?
1-(2-ethoxyphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione has a molecular weight of 328.34 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 43844668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).