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

C26H23FN2O5 — CID 110586440

IUPAC3-(2,5-dimethoxyanilino)-4-(4-fluorophenyl)-1-[(2-methoxyphenyl)methyl]pyrrole-2,5-dione
SMILESCOc1ccc(OC)c(NC2=C(c3ccc(F)cc3)C(=O)N(Cc3ccccc3OC)C2=O)c1
InChIInChI=1S/C26H23FN2O5/c1-32-19-12-13-22(34-3)20(14-19)28-24-23(16-8-10-18(27)11-9-16)25(30)29(26(24)31)15-17-6-4-5-7-21(17)33-2/h4-14,28H,15H2,1-3H3
InChIKeyLJCFLCVAPFBYAS-UHFFFAOYSA-N
MW462.48 g/mol
LogP4.24
Rot. Bonds8

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

3-(2,5-dimethoxyanilino)-4-(4-fluorophenyl)-1-[(2-methoxyphenyl)methyl]pyrrole-2,5-dione (PubChem CID 110586440) has the molecular formula C26H23FN2O5 and a molecular weight of 462.48 g/mol. Its IUPAC name is 3-(2,5-dimethoxyanilino)-4-(4-fluorophenyl)-1-[(2-methoxyphenyl)methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,5-dimethoxyanilino)-4-(4-fluorophenyl)-1-[(2-methoxyphenyl)methyl]pyrrole-2,5-dione
PubChem CID110586440
Molecular FormulaC26H23FN2O5
Molecular Weight462.48 g/mol
Exact Mass462.16
IUPAC Name3-(2,5-dimethoxyanilino)-4-(4-fluorophenyl)-1-[(2-methoxyphenyl)methyl]pyrrole-2,5-dione
SMILESCOc1ccc(OC)c(NC2=C(c3ccc(F)cc3)C(=O)N(Cc3ccccc3OC)C2=O)c1
InChIInChI=1S/C26H23FN2O5/c1-32-19-12-13-22(34-3)20(14-19)28-24-23(16-8-10-18(27)11-9-16)25(30)29(26(24)31)15-17-6-4-5-7-21(17)33-2/h4-14,28H,15H2,1-3H3
InChIKeyLJCFLCVAPFBYAS-UHFFFAOYSA-N
XLogP4.24
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-dimethoxyanilino)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110594732
3-(2,5-dimethoxyanilino)-4-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 110586015
3-(2,5-dimethoxyanilino)-4-(4-fluorophenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
CID 110586146
1-[(2-chlorophenyl)methyl]-3-(2,5-dimethoxyanilino)-4-phenylpyrrole-2,5-dione
CID 110594280
3-(3-methoxyanilino)-4-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 110593009
3-(2,5-dimethoxyanilino)-1-(3-ethoxypropyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586572
3-(3-fluoroanilino)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110594724
3-(2,5-dimethoxyanilino)-1-(furan-2-ylmethyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110600518
3-(2,5-dimethoxyanilino)-4-(3,4-dimethoxyphenyl)-1-ethylpyrrole-2,5-dione
CID 110596942
3-(2,5-dimethoxyanilino)-1-[2-(4-methoxyphenyl)ethyl]-4-phenylpyrrole-2,5-dione
CID 110594208
1-(3-chlorophenyl)-3-(2,5-dimethoxyanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110587083
3-(2,5-dimethoxyanilino)-1-(3-ethoxyphenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110585899

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyanilino)-4-(4-fluorophenyl)-1-[(2-methoxyphenyl)methyl]pyrrole-2,5-dione?
The IUPAC name of 3-(2,5-dimethoxyanilino)-4-(4-fluorophenyl)-1-[(2-methoxyphenyl)methyl]pyrrole-2,5-dione (CID 110586440) is 3-(2,5-dimethoxyanilino)-4-(4-fluorophenyl)-1-[(2-methoxyphenyl)methyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,5-dimethoxyanilino)-4-(4-fluorophenyl)-1-[(2-methoxyphenyl)methyl]pyrrole-2,5-dione?
The canonical SMILES for 3-(2,5-dimethoxyanilino)-4-(4-fluorophenyl)-1-[(2-methoxyphenyl)methyl]pyrrole-2,5-dione is COc1ccc(OC)c(NC2=C(c3ccc(F)cc3)C(=O)N(Cc3ccccc3OC)C2=O)c1.
What is the InChIKey of 3-(2,5-dimethoxyanilino)-4-(4-fluorophenyl)-1-[(2-methoxyphenyl)methyl]pyrrole-2,5-dione?
The InChIKey is LJCFLCVAPFBYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O5/c1-32-19-12-13-22(34-3)20(14-19)28-24-23(16-8-10-18(27)11-9-16)25(30)29(26(24)31)15-17-6-4-5-7-21(17)33-2/h4-14,28H,15H2,1-3H3.
What are the key properties of 3-(2,5-dimethoxyanilino)-4-(4-fluorophenyl)-1-[(2-methoxyphenyl)methyl]pyrrole-2,5-dione?
3-(2,5-dimethoxyanilino)-4-(4-fluorophenyl)-1-[(2-methoxyphenyl)methyl]pyrrole-2,5-dione has a molecular weight of 462.48 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyanilino)-4-(4-fluorophenyl)-1-[(2-methoxyphenyl)methyl]pyrrole-2,5-dione is sourced from PubChem (CID 110586440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).