3-(2,5-dioxopyrrol-1-yl)-N-[3-[[3-(2,5-dioxopyrrol-1-yl)benzoyl]amino]phenyl]benzamide

C28H18N4O6 — CID 126585620

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[3-[[3-(2,5-dioxopyrrol-1-yl)benzoyl]amino]phenyl]benzamide
SMILESO=C(Nc1cccc(NC(=O)c2cccc(N3C(=O)C=CC3=O)c2)c1)c1cccc(N2C(=O)C=CC2=O)c1
InChIInChI=1S/C28H18N4O6/c33-23-10-11-24(34)31(23)21-8-1-4-17(14-21)27(37)29-19-6-3-7-20(16-19)30-28(38)18-5-2-9-22(15-18)32-25(35)12-13-26(32)36/h1-16H,(H,29,37)(H,30,38)
InChIKeyRYBFMSIHTANDRY-UHFFFAOYSA-N
MW506.47 g/mol
LogP3.05
Rot. Bonds6

About 3-(2,5-dioxopyrrol-1-yl)-N-[3-[[3-(2,5-dioxopyrrol-1-yl)benzoyl]amino]phenyl]benzamide

3-(2,5-dioxopyrrol-1-yl)-N-[3-[[3-(2,5-dioxopyrrol-1-yl)benzoyl]amino]phenyl]benzamide (PubChem CID 126585620) has the molecular formula C28H18N4O6 and a molecular weight of 506.47 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[3-[[3-(2,5-dioxopyrrol-1-yl)benzoyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[3-[[3-(2,5-dioxopyrrol-1-yl)benzoyl]amino]phenyl]benzamide
PubChem CID126585620
Molecular FormulaC28H18N4O6
Molecular Weight506.47 g/mol
Exact Mass506.12
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[3-[[3-(2,5-dioxopyrrol-1-yl)benzoyl]amino]phenyl]benzamide
SMILESO=C(Nc1cccc(NC(=O)c2cccc(N3C(=O)C=CC3=O)c2)c1)c1cccc(N2C(=O)C=CC2=O)c1
InChIInChI=1S/C28H18N4O6/c33-23-10-11-24(34)31(23)21-8-1-4-17(14-21)27(37)29-19-6-3-7-20(16-19)30-28(38)18-5-2-9-22(15-18)32-25(35)12-13-26(32)36/h1-16H,(H,29,37)(H,30,38)
InChIKeyRYBFMSIHTANDRY-UHFFFAOYSA-N
XLogP3.05
TPSA132.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.47
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyanophenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 18084163
N-(3-iodophenyl)-2-[3-[(3-iodophenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 3492403
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
3-[[3-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]benzoyl]amino]benzoic acid
CID 11892579
3-[[3-[(1S,2R,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]benzoyl]amino]benzoic acid
CID 124767384
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]phenyl]benzamide
CID 18552976
N-(3-cyanophenyl)-3-pyrrol-1-ylbenzamide
CID 27826709
N-(3-fluorophenyl)-3-pyrrol-1-ylbenzamide
CID 16610347
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-[[2-(3-benzoylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid
CID 3285684
3-[(1S,2R,6R,7S,8R,9S)-8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-phenylbenzamide
CID 98164622
N-[3-[(1S,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]benzamide
CID 1216930

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[3-[[3-(2,5-dioxopyrrol-1-yl)benzoyl]amino]phenyl]benzamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[3-[[3-(2,5-dioxopyrrol-1-yl)benzoyl]amino]phenyl]benzamide (CID 126585620) is 3-(2,5-dioxopyrrol-1-yl)-N-[3-[[3-(2,5-dioxopyrrol-1-yl)benzoyl]amino]phenyl]benzamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[3-[[3-(2,5-dioxopyrrol-1-yl)benzoyl]amino]phenyl]benzamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[3-[[3-(2,5-dioxopyrrol-1-yl)benzoyl]amino]phenyl]benzamide is O=C(Nc1cccc(NC(=O)c2cccc(N3C(=O)C=CC3=O)c2)c1)c1cccc(N2C(=O)C=CC2=O)c1.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[3-[[3-(2,5-dioxopyrrol-1-yl)benzoyl]amino]phenyl]benzamide?
The InChIKey is RYBFMSIHTANDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N4O6/c33-23-10-11-24(34)31(23)21-8-1-4-17(14-21)27(37)29-19-6-3-7-20(16-19)30-28(38)18-5-2-9-22(15-18)32-25(35)12-13-26(32)36/h1-16H,(H,29,37)(H,30,38).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[3-[[3-(2,5-dioxopyrrol-1-yl)benzoyl]amino]phenyl]benzamide?
3-(2,5-dioxopyrrol-1-yl)-N-[3-[[3-(2,5-dioxopyrrol-1-yl)benzoyl]amino]phenyl]benzamide has a molecular weight of 506.47 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-[3-[[3-(2,5-dioxopyrrol-1-yl)benzoyl]amino]phenyl]benzamide is sourced from PubChem (CID 126585620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).