1-(2,5-difluorophenyl)-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione

C24H18F2N2O2 — CID 110596205

IUPAC1-(2,5-difluorophenyl)-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione
SMILESCCc1ccc(NC2=C(c3ccccc3)C(=O)N(c3cc(F)ccc3F)C2=O)cc1
InChIInChI=1S/C24H18F2N2O2/c1-2-15-8-11-18(12-9-15)27-22-21(16-6-4-3-5-7-16)23(29)28(24(22)30)20-14-17(25)10-13-19(20)26/h3-14,27H,2H2,1H3
InChIKeyLICKOJAOBAZUCP-UHFFFAOYSA-N
MW404.42 g/mol
LogP4.92
Rot. Bonds5

About 1-(2,5-difluorophenyl)-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione

1-(2,5-difluorophenyl)-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione (PubChem CID 110596205) has the molecular formula C24H18F2N2O2 and a molecular weight of 404.42 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione
PubChem CID110596205
Molecular FormulaC24H18F2N2O2
Molecular Weight404.42 g/mol
Exact Mass404.13
IUPAC Name1-(2,5-difluorophenyl)-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione
SMILESCCc1ccc(NC2=C(c3ccccc3)C(=O)N(c3cc(F)ccc3F)C2=O)cc1
InChIInChI=1S/C24H18F2N2O2/c1-2-15-8-11-18(12-9-15)27-22-21(16-6-4-3-5-7-16)23(29)28(24(22)30)20-14-17(25)10-13-19(20)26/h3-14,27H,2H2,1H3
InChIKeyLICKOJAOBAZUCP-UHFFFAOYSA-N
XLogP4.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 54.92
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

1-(2,5-difluorophenyl)-3-[4-(dimethylamino)anilino]-4-phenylpyrrole-2,5-dione
CID 110596193
1-(2,5-difluorophenyl)-3-(4-ethylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598647
3-(4-ethylanilino)-1-(2-methoxyphenyl)-4-phenylpyrrole-2,5-dione
CID 110595841
3-(4-ethylanilino)-1-(4-ethylphenyl)-4-phenylpyrrole-2,5-dione
CID 110595345
1-(4-chlorophenyl)-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione
CID 110595536
1-(2,4-dimethylphenyl)-3-(4-ethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110587385
1-(3-chloro-2-methylphenyl)-3-(4-ethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586736
3-(3-fluoroanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione
CID 110595208
1-benzyl-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione
CID 110594470
1-ethyl-3-(4-fluoroanilino)-4-phenylpyrrole-2,5-dione
CID 110594516
1-(4-ethylphenyl)-3-phenyl-4-[4-(trifluoromethoxy)anilino]pyrrole-2,5-dione
CID 110595324
3-(3-ethoxyanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione
CID 110595199

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 1-(2,5-difluorophenyl)-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione (CID 110596205) is 1-(2,5-difluorophenyl)-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione is CCc1ccc(NC2=C(c3ccccc3)C(=O)N(c3cc(F)ccc3F)C2=O)cc1.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione?
The InChIKey is LICKOJAOBAZUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N2O2/c1-2-15-8-11-18(12-9-15)27-22-21(16-6-4-3-5-7-16)23(29)28(24(22)30)20-14-17(25)10-13-19(20)26/h3-14,27H,2H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione?
1-(2,5-difluorophenyl)-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione has a molecular weight of 404.42 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110596205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).