1-(2-ethoxyphenyl)-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione

C25H21FN2O3 — CID 110544717

IUPAC1-(2-ethoxyphenyl)-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione
SMILESCCOc1ccccc1N1C(=O)C(c2ccc(F)cc2)=C(N(C)c2ccccc2)C1=O
InChIInChI=1S/C25H21FN2O3/c1-3-31-21-12-8-7-11-20(21)28-24(29)22(17-13-15-18(26)16-14-17)23(25(28)30)27(2)19-9-5-4-6-10-19/h4-16H,3H2,1-2H3
InChIKeyHIVKXMDLYKMZPF-UHFFFAOYSA-N
MW416.45 g/mol
LogP4.65
Rot. Bonds6

About 1-(2-ethoxyphenyl)-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione

1-(2-ethoxyphenyl)-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione (PubChem CID 110544717) has the molecular formula C25H21FN2O3 and a molecular weight of 416.45 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione
PubChem CID110544717
Molecular FormulaC25H21FN2O3
Molecular Weight416.45 g/mol
Exact Mass416.15
IUPAC Name1-(2-ethoxyphenyl)-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione
SMILESCCOc1ccccc1N1C(=O)C(c2ccc(F)cc2)=C(N(C)c2ccccc2)C1=O
InChIInChI=1S/C25H21FN2O3/c1-3-31-21-12-8-7-11-20(21)28-24(29)22(17-13-15-18(26)16-14-17)23(25(28)30)27(2)19-9-5-4-6-10-19/h4-16H,3H2,1-2H3
InChIKeyHIVKXMDLYKMZPF-UHFFFAOYSA-N
XLogP4.65
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyphenyl)-3-(N-methylanilino)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110542076
3-[benzyl(methyl)amino]-1-(2-ethoxyphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573432
1-(2-fluorophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573548
1-(4-chlorophenyl)-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110545221
3-(N-ethylanilino)-4-(4-fluorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110545874
3-(N-methylanilino)-1-naphthalen-1-yl-4-phenylpyrrole-2,5-dione
CID 110561422
3-(N-methylanilino)-4-(4-methylphenyl)-1-naphthalen-1-ylpyrrole-2,5-dione
CID 110574208
N-[4-[1-(2-methoxyphenyl)-4-(N-methylanilino)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563580
3-(3,5-dimethoxyanilino)-1-(2-ethoxyphenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586742
propyl 4-[3-(4-fluorophenyl)-4-(N-methylanilino)-2,5-dioxopyrrol-1-yl]benzoate
CID 110545109
3-(4-chlorophenyl)-4-(N-methylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110571328
N-[4-[3-(4-fluorophenyl)-4-(N-methylanilino)-2,5-dioxopyrrol-1-yl]phenyl]acetamide
CID 110545385

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione?
The IUPAC name of 1-(2-ethoxyphenyl)-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione (CID 110544717) is 1-(2-ethoxyphenyl)-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione is CCOc1ccccc1N1C(=O)C(c2ccc(F)cc2)=C(N(C)c2ccccc2)C1=O.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione?
The InChIKey is HIVKXMDLYKMZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O3/c1-3-31-21-12-8-7-11-20(21)28-24(29)22(17-13-15-18(26)16-14-17)23(25(28)30)27(2)19-9-5-4-6-10-19/h4-16H,3H2,1-2H3.
What are the key properties of 1-(2-ethoxyphenyl)-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione?
1-(2-ethoxyphenyl)-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione has a molecular weight of 416.45 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione is sourced from PubChem (CID 110544717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).