3-(3-acetylanilino)-1-(3-acetylphenyl)pyrrole-2,5-dione

C20H16N2O4 — CID 734368

IUPAC3-(3-acetylanilino)-1-(3-acetylphenyl)pyrrole-2,5-dione
SMILESCC(=O)c1cccc(NC2=CC(=O)N(c3cccc(C(C)=O)c3)C2=O)c1
InChIInChI=1S/C20H16N2O4/c1-12(23)14-5-3-7-16(9-14)21-18-11-19(25)22(20(18)26)17-8-4-6-15(10-17)13(2)24/h3-11,21H,1-2H3
InChIKeyGPXNHYWHTNSRQK-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.96
Rot. Bonds5

About 3-(3-acetylanilino)-1-(3-acetylphenyl)pyrrole-2,5-dione

3-(3-acetylanilino)-1-(3-acetylphenyl)pyrrole-2,5-dione (PubChem CID 734368) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 3-(3-acetylanilino)-1-(3-acetylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3-acetylanilino)-1-(3-acetylphenyl)pyrrole-2,5-dione
PubChem CID734368
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name3-(3-acetylanilino)-1-(3-acetylphenyl)pyrrole-2,5-dione
SMILESCC(=O)c1cccc(NC2=CC(=O)N(c3cccc(C(C)=O)c3)C2=O)c1
InChIInChI=1S/C20H16N2O4/c1-12(23)14-5-3-7-16(9-14)21-18-11-19(25)22(20(18)26)17-8-4-6-15(10-17)13(2)24/h3-11,21H,1-2H3
InChIKeyGPXNHYWHTNSRQK-UHFFFAOYSA-N
XLogP2.96
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methyl-2,5-dioxopyrrol-1-yl)benzamide
CID 113224926
1-[3-(pyrimidin-2-ylamino)phenyl]ethanone
CID 115028227
1-(3-acetylphenyl)pyrrolidine-2,5-dione;ethane
CID 145439444
6-(3-acetylphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione
CID 17255818
1-[3-(4-aminoanilino)phenyl]ethanone
CID 82287829
3-(2,5-dioxopyrrol-1-yl)-N-[3-[[3-(2,5-dioxopyrrol-1-yl)benzoyl]amino]phenyl]benzamide
CID 126585620
N-(3-acetylphenyl)-3-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]benzamide
CID 124719358
(3-acetylphenyl)sulfamic acid
CID 12629151
1-(3,5-difluoro-4-hydroxyphenyl)-3-(4-methylanilino)pyrrole-2,5-dione
CID 165032529
(1R,2R,6R,7R)-4-(3-acetylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 124713521
1-[3-[(1-methylpyrazol-4-yl)amino]phenyl]ethanone
CID 82536724
3-(4-acetylanilino)benzoic acid
CID 11184397

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetylanilino)-1-(3-acetylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(3-acetylanilino)-1-(3-acetylphenyl)pyrrole-2,5-dione (CID 734368) is 3-(3-acetylanilino)-1-(3-acetylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(3-acetylanilino)-1-(3-acetylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(3-acetylanilino)-1-(3-acetylphenyl)pyrrole-2,5-dione is CC(=O)c1cccc(NC2=CC(=O)N(c3cccc(C(C)=O)c3)C2=O)c1.
What is the InChIKey of 3-(3-acetylanilino)-1-(3-acetylphenyl)pyrrole-2,5-dione?
The InChIKey is GPXNHYWHTNSRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c1-12(23)14-5-3-7-16(9-14)21-18-11-19(25)22(20(18)26)17-8-4-6-15(10-17)13(2)24/h3-11,21H,1-2H3.
What are the key properties of 3-(3-acetylanilino)-1-(3-acetylphenyl)pyrrole-2,5-dione?
3-(3-acetylanilino)-1-(3-acetylphenyl)pyrrole-2,5-dione has a molecular weight of 348.36 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetylanilino)-1-(3-acetylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 734368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).