3-(N-ethylanilino)-1-[(2-fluorophenyl)methyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione

C26H23FN2O3 — CID 110566263

IUPAC3-(N-ethylanilino)-1-[(2-fluorophenyl)methyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione
SMILESCCN(C1=C(c2ccccc2OC)C(=O)N(Cc2ccccc2F)C1=O)c1ccccc1
InChIInChI=1S/C26H23FN2O3/c1-3-28(19-12-5-4-6-13-19)24-23(20-14-8-10-16-22(20)32-2)25(30)29(26(24)31)17-18-11-7-9-15-21(18)27/h4-16H,3,17H2,1-2H3
InChIKeyNRJSHCXFFSNALS-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.64
Rot. Bonds7

About 3-(N-ethylanilino)-1-[(2-fluorophenyl)methyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione

3-(N-ethylanilino)-1-[(2-fluorophenyl)methyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione (PubChem CID 110566263) has the molecular formula C26H23FN2O3 and a molecular weight of 430.48 g/mol. Its IUPAC name is 3-(N-ethylanilino)-1-[(2-fluorophenyl)methyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(N-ethylanilino)-1-[(2-fluorophenyl)methyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione
PubChem CID110566263
Molecular FormulaC26H23FN2O3
Molecular Weight430.48 g/mol
Exact Mass430.17
IUPAC Name3-(N-ethylanilino)-1-[(2-fluorophenyl)methyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione
SMILESCCN(C1=C(c2ccccc2OC)C(=O)N(Cc2ccccc2F)C1=O)c1ccccc1
InChIInChI=1S/C26H23FN2O3/c1-3-28(19-12-5-4-6-13-19)24-23(20-14-8-10-16-22(20)32-2)25(30)29(26(24)31)17-18-11-7-9-15-21(18)27/h4-16H,3,17H2,1-2H3
InChIKeyNRJSHCXFFSNALS-UHFFFAOYSA-N
XLogP4.64
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.64
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-fluorophenyl)methyl]-3-(2-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110566265
3-(N-ethylanilino)-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione
CID 110565855
3-(4-chlorophenyl)-4-(N-ethylanilino)-1-[(2-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 110569981
3-(N-ethylanilino)-1-hexyl-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110566335
1-(3-butoxypropyl)-3-(N-ethylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110566420
3-(N-ethylanilino)-4-(2-methoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110567438
1-cycloheptyl-3-(N-ethylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110566081
3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]-4-(N-methylanilino)pyrrole-2,5-dione
CID 110544172
1-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110556703
3-(4-fluorophenyl)-1-[(2-methoxyphenyl)methyl]-4-(N-methylanilino)pyrrole-2,5-dione
CID 110544142
3-(3-ethoxyanilino)-1-[(2-fluorophenyl)methyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110597807
2-[(2-fluoro-3-methoxyphenyl)methyl]isoindole-1,3-dione
CID 59479327

Frequently Asked Questions

What is the IUPAC name of 3-(N-ethylanilino)-1-[(2-fluorophenyl)methyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(N-ethylanilino)-1-[(2-fluorophenyl)methyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione (CID 110566263) is 3-(N-ethylanilino)-1-[(2-fluorophenyl)methyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(N-ethylanilino)-1-[(2-fluorophenyl)methyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(N-ethylanilino)-1-[(2-fluorophenyl)methyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione is CCN(C1=C(c2ccccc2OC)C(=O)N(Cc2ccccc2F)C1=O)c1ccccc1.
What is the InChIKey of 3-(N-ethylanilino)-1-[(2-fluorophenyl)methyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The InChIKey is NRJSHCXFFSNALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O3/c1-3-28(19-12-5-4-6-13-19)24-23(20-14-8-10-16-22(20)32-2)25(30)29(26(24)31)17-18-11-7-9-15-21(18)27/h4-16H,3,17H2,1-2H3.
What are the key properties of 3-(N-ethylanilino)-1-[(2-fluorophenyl)methyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione?
3-(N-ethylanilino)-1-[(2-fluorophenyl)methyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione has a molecular weight of 430.48 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethylanilino)-1-[(2-fluorophenyl)methyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110566263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).