1-(3,5-difluoro-4-hydroxyphenyl)-3-(4-methylanilino)pyrrole-2,5-dione

C17H12F2N2O3 — CID 165032529

IUPAC1-(3,5-difluoro-4-hydroxyphenyl)-3-(4-methylanilino)pyrrole-2,5-dione
SMILESCc1ccc(NC2=CC(=O)N(c3cc(F)c(O)c(F)c3)C2=O)cc1
InChIInChI=1S/C17H12F2N2O3/c1-9-2-4-10(5-3-9)20-14-8-15(22)21(17(14)24)11-6-12(18)16(23)13(19)7-11/h2-8,20,23H,1H3
InChIKeyDGUXAEAWLBRWQT-UHFFFAOYSA-N
MW330.29 g/mol
LogP2.85
Rot. Bonds3

About 1-(3,5-difluoro-4-hydroxyphenyl)-3-(4-methylanilino)pyrrole-2,5-dione

1-(3,5-difluoro-4-hydroxyphenyl)-3-(4-methylanilino)pyrrole-2,5-dione (PubChem CID 165032529) has the molecular formula C17H12F2N2O3 and a molecular weight of 330.29 g/mol. Its IUPAC name is 1-(3,5-difluoro-4-hydroxyphenyl)-3-(4-methylanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3,5-difluoro-4-hydroxyphenyl)-3-(4-methylanilino)pyrrole-2,5-dione
PubChem CID165032529
Molecular FormulaC17H12F2N2O3
Molecular Weight330.29 g/mol
Exact Mass330.08
IUPAC Name1-(3,5-difluoro-4-hydroxyphenyl)-3-(4-methylanilino)pyrrole-2,5-dione
SMILESCc1ccc(NC2=CC(=O)N(c3cc(F)c(O)c(F)c3)C2=O)cc1
InChIInChI=1S/C17H12F2N2O3/c1-9-2-4-10(5-3-9)20-14-8-15(22)21(17(14)24)11-6-12(18)16(23)13(19)7-11/h2-8,20,23H,1H3
InChIKeyDGUXAEAWLBRWQT-UHFFFAOYSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1,3-benzodioxol-5-yl)-3-(3,5-difluoro-4-hydroxyanilino)pyrrole-2,5-dione
CID 163369714
3-(3,5-difluoro-4-hydroxyanilino)-1-[4-(difluoromethoxy)phenyl]pyrrole-2,5-dione
CID 163369605
3-(3,5-difluoro-4-hydroxyanilino)-1-[(2,4-dimethylphenyl)methyl]pyrrole-2,5-dione
CID 163369643
1-(4-tert-butylphenyl)-3-(3,5-difluoro-4-methylanilino)pyrrole-2,5-dione
CID 165087517
3-(3,5-difluoro-4-methylanilino)-1-(4-isocyanophenyl)pyrrole-2,5-dione
CID 164968205
3-(3-fluoro-2-hydroxy-4-methylanilino)-1-phenylpyrrole-2,5-dione
CID 165078173
3-(3,5-difluoro-4-methylanilino)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 165061086
3-(2,5-difluoro-4-hydroxyanilino)-1-phenylpyrrole-2,5-dione
CID 163369655
1-(2-hydroxyethyl)-3-[4-(4-methylphenyl)anilino]pyrrole-2,5-dione
CID 168559346
3-(3-acetylanilino)-1-(3-acetylphenyl)pyrrole-2,5-dione
CID 734368
3-(4-chlorophenyl)-1-(3,5-dimethylphenyl)-4-(4-fluoroanilino)pyrrole-2,5-dione
CID 110599660
3-(3,5-difluoro-4-hydroxyanilino)-1-[2-(4-piperidin-1-ylphenyl)ethyl]pyrrole-2,5-dione
CID 163369716

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-4-hydroxyphenyl)-3-(4-methylanilino)pyrrole-2,5-dione?
The IUPAC name of 1-(3,5-difluoro-4-hydroxyphenyl)-3-(4-methylanilino)pyrrole-2,5-dione (CID 165032529) is 1-(3,5-difluoro-4-hydroxyphenyl)-3-(4-methylanilino)pyrrole-2,5-dione.
What is the SMILES notation for 1-(3,5-difluoro-4-hydroxyphenyl)-3-(4-methylanilino)pyrrole-2,5-dione?
The canonical SMILES for 1-(3,5-difluoro-4-hydroxyphenyl)-3-(4-methylanilino)pyrrole-2,5-dione is Cc1ccc(NC2=CC(=O)N(c3cc(F)c(O)c(F)c3)C2=O)cc1.
What is the InChIKey of 1-(3,5-difluoro-4-hydroxyphenyl)-3-(4-methylanilino)pyrrole-2,5-dione?
The InChIKey is DGUXAEAWLBRWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O3/c1-9-2-4-10(5-3-9)20-14-8-15(22)21(17(14)24)11-6-12(18)16(23)13(19)7-11/h2-8,20,23H,1H3.
What are the key properties of 1-(3,5-difluoro-4-hydroxyphenyl)-3-(4-methylanilino)pyrrole-2,5-dione?
1-(3,5-difluoro-4-hydroxyphenyl)-3-(4-methylanilino)pyrrole-2,5-dione has a molecular weight of 330.29 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoro-4-hydroxyphenyl)-3-(4-methylanilino)pyrrole-2,5-dione is sourced from PubChem (CID 165032529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).