3-(4-ethoxyphenyl)-4-(4-fluoroanilino)-1-propan-2-ylpyrrole-2,5-dione

C21H21FN2O3 — CID 110588082

IUPAC3-(4-ethoxyphenyl)-4-(4-fluoroanilino)-1-propan-2-ylpyrrole-2,5-dione
SMILESCCOc1ccc(C2=C(Nc3ccc(F)cc3)C(=O)N(C(C)C)C2=O)cc1
InChIInChI=1S/C21H21FN2O3/c1-4-27-17-11-5-14(6-12-17)18-19(21(26)24(13(2)3)20(18)25)23-16-9-7-15(22)8-10-16/h5-13,23H,4H2,1-3H3
InChIKeyZESOLHQQMKDBDP-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.82
Rot. Bonds6

About 3-(4-ethoxyphenyl)-4-(4-fluoroanilino)-1-propan-2-ylpyrrole-2,5-dione

3-(4-ethoxyphenyl)-4-(4-fluoroanilino)-1-propan-2-ylpyrrole-2,5-dione (PubChem CID 110588082) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-4-(4-fluoroanilino)-1-propan-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-4-(4-fluoroanilino)-1-propan-2-ylpyrrole-2,5-dione
PubChem CID110588082
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC Name3-(4-ethoxyphenyl)-4-(4-fluoroanilino)-1-propan-2-ylpyrrole-2,5-dione
SMILESCCOc1ccc(C2=C(Nc3ccc(F)cc3)C(=O)N(C(C)C)C2=O)cc1
InChIInChI=1S/C21H21FN2O3/c1-4-27-17-11-5-14(6-12-17)18-19(21(26)24(13(2)3)20(18)25)23-16-9-7-15(22)8-10-16/h5-13,23H,4H2,1-3H3
InChIKeyZESOLHQQMKDBDP-UHFFFAOYSA-N
XLogP3.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.82
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-ethoxyanilino)-4-(4-fluorophenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110586623
3-(3,4-dimethylphenyl)-4-(4-ethoxyanilino)-1-propan-2-ylpyrrole-2,5-dione
CID 110589239
1-(2,4-difluorophenyl)-3-(4-ethoxyanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110587537
1-(2,4-difluorophenyl)-3-(4-ethoxyphenyl)-4-(4-fluoroanilino)pyrrole-2,5-dione
CID 110588456
3-(4-ethoxyanilino)-1-(3-fluorophenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586669
3-(4-ethoxyanilino)-1-(3-ethoxypropyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586574
3-(4-ethoxyphenyl)-1-(3-ethoxypropyl)-4-(4-fluoroanilino)pyrrole-2,5-dione
CID 110588039
4-[3-(4-ethoxyphenyl)-4-(4-fluoroanilino)-2,5-dioxopyrrol-1-yl]benzonitrile
CID 110588402
N-[4-[4-(4-ethoxyanilino)-1-(4-fluorophenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110596647
3-(3-fluoroanilino)-4-(4-fluorophenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110586633
3-(4-ethoxyanilino)-1-[2-(4-fluorophenyl)ethyl]-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110592570
1-[3-(dimethylamino)phenyl]-3-(4-ethoxyanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110587480

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-4-(4-fluoroanilino)-1-propan-2-ylpyrrole-2,5-dione?
The IUPAC name of 3-(4-ethoxyphenyl)-4-(4-fluoroanilino)-1-propan-2-ylpyrrole-2,5-dione (CID 110588082) is 3-(4-ethoxyphenyl)-4-(4-fluoroanilino)-1-propan-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(4-ethoxyphenyl)-4-(4-fluoroanilino)-1-propan-2-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(4-ethoxyphenyl)-4-(4-fluoroanilino)-1-propan-2-ylpyrrole-2,5-dione is CCOc1ccc(C2=C(Nc3ccc(F)cc3)C(=O)N(C(C)C)C2=O)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-4-(4-fluoroanilino)-1-propan-2-ylpyrrole-2,5-dione?
The InChIKey is ZESOLHQQMKDBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-4-27-17-11-5-14(6-12-17)18-19(21(26)24(13(2)3)20(18)25)23-16-9-7-15(22)8-10-16/h5-13,23H,4H2,1-3H3.
What are the key properties of 3-(4-ethoxyphenyl)-4-(4-fluoroanilino)-1-propan-2-ylpyrrole-2,5-dione?
3-(4-ethoxyphenyl)-4-(4-fluoroanilino)-1-propan-2-ylpyrrole-2,5-dione has a molecular weight of 368.41 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-4-(4-fluoroanilino)-1-propan-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110588082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).