3-(4-fluorophenyl)-4-(3-methoxyanilino)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione

C26H23FN2O3 — CID 110587392

IUPAC3-(4-fluorophenyl)-4-(3-methoxyanilino)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
SMILESCOc1cccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3ccc(C(C)C)cc3)C2=O)c1
InChIInChI=1S/C26H23FN2O3/c1-16(2)17-9-13-21(14-10-17)29-25(30)23(18-7-11-19(27)12-8-18)24(26(29)31)28-20-5-4-6-22(15-20)32-3/h4-16,28H,1-3H3
InChIKeyAPJOGLCDIHULQJ-UHFFFAOYSA-N
MW430.48 g/mol
LogP5.35
Rot. Bonds6

About 3-(4-fluorophenyl)-4-(3-methoxyanilino)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione

3-(4-fluorophenyl)-4-(3-methoxyanilino)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione (PubChem CID 110587392) has the molecular formula C26H23FN2O3 and a molecular weight of 430.48 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-(3-methoxyanilino)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-(3-methoxyanilino)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
PubChem CID110587392
Molecular FormulaC26H23FN2O3
Molecular Weight430.48 g/mol
Exact Mass430.17
IUPAC Name3-(4-fluorophenyl)-4-(3-methoxyanilino)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
SMILESCOc1cccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3ccc(C(C)C)cc3)C2=O)c1
InChIInChI=1S/C26H23FN2O3/c1-16(2)17-9-13-21(14-10-17)29-25(30)23(18-7-11-19(27)12-8-18)24(26(29)31)28-20-5-4-6-22(15-20)32-3/h4-16,28H,1-3H3
InChIKeyAPJOGLCDIHULQJ-UHFFFAOYSA-N
XLogP5.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.48
LogP ≤ 55.35
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-(4-fluorophenyl)-4-(4-methoxyanilino)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
CID 110587403
1-(3-fluorophenyl)-3-(4-fluorophenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione
CID 110586651
3-(4-methoxyanilino)-4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
CID 110593744
3-(3,4-dimethylanilino)-4-(4-fluorophenyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
CID 110587404
3-(3-methoxyanilino)-1-(4-propan-2-ylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110592254
3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110599758
3-(3-methoxyanilino)-1-(3-methoxyphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110600222
3-(3,5-dimethoxyanilino)-1-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593256
1-(3-fluorophenyl)-3-(3-methoxyanilino)-4-phenylpyrrole-2,5-dione
CID 110594991
1-(2,4-difluorophenyl)-3-(4-fluorophenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione
CID 110587520
3-(3-chloro-4-methoxyanilino)-4-(4-fluorophenyl)-1-(3-methoxyphenyl)pyrrole-2,5-dione
CID 110585874
3-(3-methoxyanilino)-4-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110596141

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-(3-methoxyanilino)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(4-fluorophenyl)-4-(3-methoxyanilino)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione (CID 110587392) is 3-(4-fluorophenyl)-4-(3-methoxyanilino)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-fluorophenyl)-4-(3-methoxyanilino)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-fluorophenyl)-4-(3-methoxyanilino)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione is COc1cccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3ccc(C(C)C)cc3)C2=O)c1.
What is the InChIKey of 3-(4-fluorophenyl)-4-(3-methoxyanilino)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione?
The InChIKey is APJOGLCDIHULQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O3/c1-16(2)17-9-13-21(14-10-17)29-25(30)23(18-7-11-19(27)12-8-18)24(26(29)31)28-20-5-4-6-22(15-20)32-3/h4-16,28H,1-3H3.
What are the key properties of 3-(4-fluorophenyl)-4-(3-methoxyanilino)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione?
3-(4-fluorophenyl)-4-(3-methoxyanilino)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione has a molecular weight of 430.48 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-(3-methoxyanilino)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110587392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).