3-(2-ethoxyanilino)-1-ethyl-4-(4-fluorophenyl)pyrrole-2,5-dione

C20H19FN2O3 — CID 110586250

IUPAC3-(2-ethoxyanilino)-1-ethyl-4-(4-fluorophenyl)pyrrole-2,5-dione
SMILESCCOc1ccccc1NC1=C(c2ccc(F)cc2)C(=O)N(CC)C1=O
InChIInChI=1S/C20H19FN2O3/c1-3-23-19(24)17(13-9-11-14(21)12-10-13)18(20(23)25)22-15-7-5-6-8-16(15)26-4-2/h5-12,22H,3-4H2,1-2H3
InChIKeyWIQNGCZASQMSHK-UHFFFAOYSA-N
MW354.38 g/mol
LogP3.44
Rot. Bonds6

About 3-(2-ethoxyanilino)-1-ethyl-4-(4-fluorophenyl)pyrrole-2,5-dione

3-(2-ethoxyanilino)-1-ethyl-4-(4-fluorophenyl)pyrrole-2,5-dione (PubChem CID 110586250) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is 3-(2-ethoxyanilino)-1-ethyl-4-(4-fluorophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2-ethoxyanilino)-1-ethyl-4-(4-fluorophenyl)pyrrole-2,5-dione
PubChem CID110586250
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC Name3-(2-ethoxyanilino)-1-ethyl-4-(4-fluorophenyl)pyrrole-2,5-dione
SMILESCCOc1ccccc1NC1=C(c2ccc(F)cc2)C(=O)N(CC)C1=O
InChIInChI=1S/C20H19FN2O3/c1-3-23-19(24)17(13-9-11-14(21)12-10-13)18(20(23)25)22-15-7-5-6-8-16(15)26-4-2/h5-12,22H,3-4H2,1-2H3
InChIKeyWIQNGCZASQMSHK-UHFFFAOYSA-N
XLogP3.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 53.44
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-ethoxyanilino)-1-ethyl-4-phenylpyrrole-2,5-dione
CID 110594520
3-(2-ethoxyanilino)-4-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110586414
3-(2-ethoxyanilino)-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110585973
3-(2-ethoxyanilino)-4-(4-fluorophenyl)-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione
CID 110586609
3-(2-ethoxyanilino)-4-(4-ethoxyphenyl)-1-(4-fluorophenyl)pyrrole-2,5-dione
CID 110588143
3-anilino-1-ethyl-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586261
1-(3,5-dimethylphenyl)-3-(2-ethoxyanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586684
3-(2-ethoxyanilino)-4-(4-ethoxyphenyl)-1-(2-methoxyethyl)pyrrole-2,5-dione
CID 110587849
1-ethyl-3-(4-fluoroanilino)-4-phenylpyrrole-2,5-dione
CID 110594516
3-(2-ethoxyanilino)-1,4-diphenylpyrrole-2,5-dione
CID 110595505
3-(2-ethoxyanilino)-1-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110597344
1-[2-(4-chlorophenyl)ethyl]-3-(2-ethoxyanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110600321

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyanilino)-1-ethyl-4-(4-fluorophenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2-ethoxyanilino)-1-ethyl-4-(4-fluorophenyl)pyrrole-2,5-dione (CID 110586250) is 3-(2-ethoxyanilino)-1-ethyl-4-(4-fluorophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2-ethoxyanilino)-1-ethyl-4-(4-fluorophenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2-ethoxyanilino)-1-ethyl-4-(4-fluorophenyl)pyrrole-2,5-dione is CCOc1ccccc1NC1=C(c2ccc(F)cc2)C(=O)N(CC)C1=O.
What is the InChIKey of 3-(2-ethoxyanilino)-1-ethyl-4-(4-fluorophenyl)pyrrole-2,5-dione?
The InChIKey is WIQNGCZASQMSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c1-3-23-19(24)17(13-9-11-14(21)12-10-13)18(20(23)25)22-15-7-5-6-8-16(15)26-4-2/h5-12,22H,3-4H2,1-2H3.
What are the key properties of 3-(2-ethoxyanilino)-1-ethyl-4-(4-fluorophenyl)pyrrole-2,5-dione?
3-(2-ethoxyanilino)-1-ethyl-4-(4-fluorophenyl)pyrrole-2,5-dione has a molecular weight of 354.38 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyanilino)-1-ethyl-4-(4-fluorophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110586250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).