4-(2,5-dioxopyrrolidin-1-yl)-N-[3-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]phenyl]benzamide

C28H22N4O6 — CID 18552976

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-[3-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]phenyl]benzamide
SMILESO=C(Nc1cccc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C28H22N4O6/c33-23-12-13-24(34)31(23)21-8-4-17(5-9-21)27(37)29-19-2-1-3-20(16-19)30-28(38)18-6-10-22(11-7-18)32-25(35)14-15-26(32)36/h1-11,16H,12-15H2,(H,29,37)(H,30,38)
InChIKeyWOWNLQLOAJUZRW-UHFFFAOYSA-N
MW510.51 g/mol
LogP3.50
Rot. Bonds6

About 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]phenyl]benzamide

4-(2,5-dioxopyrrolidin-1-yl)-N-[3-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]phenyl]benzamide (PubChem CID 18552976) has the molecular formula C28H22N4O6 and a molecular weight of 510.51 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-[3-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]phenyl]benzamide
PubChem CID18552976
Molecular FormulaC28H22N4O6
Molecular Weight510.51 g/mol
Exact Mass510.15
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-[3-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]phenyl]benzamide
SMILESO=C(Nc1cccc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C28H22N4O6/c33-23-12-13-24(34)31(23)21-8-4-17(5-9-21)27(37)29-19-2-1-3-20(16-19)30-28(38)18-6-10-22(11-7-18)32-25(35)14-15-26(32)36/h1-11,16H,12-15H2,(H,29,37)(H,30,38)
InChIKeyWOWNLQLOAJUZRW-UHFFFAOYSA-N
XLogP3.50
TPSA132.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.51
LogP ≤ 53.50
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

4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]benzoate
CID 7318599
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyrimidin-2-yloxyphenyl)benzamide
CID 55833464
N-(3-cyanophenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 18084163
N-(3-fluorophenyl)-4-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzamide
CID 727118
N-(3-chlorophenyl)-4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzamide
CID 43859493
N-[4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 55765550
[2-(3-methylanilino)-2-oxoethyl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204319
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 16557741
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-nitrophenyl)benzamide
CID 2891364
[2-(3-ethylanilino)-2-oxoethyl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204046
4-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(3-fluorophenyl)benzamide
CID 45270654
dimethyl 5-[[3-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]benzene-1,3-dicarboxylate
CID 55345893

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]phenyl]benzamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]phenyl]benzamide (CID 18552976) is 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]phenyl]benzamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]phenyl]benzamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]phenyl]benzamide is O=C(Nc1cccc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1)c1ccc(N2C(=O)CCC2=O)cc1.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]phenyl]benzamide?
The InChIKey is WOWNLQLOAJUZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4O6/c33-23-12-13-24(34)31(23)21-8-4-17(5-9-21)27(37)29-19-2-1-3-20(16-19)30-28(38)18-6-10-22(11-7-18)32-25(35)14-15-26(32)36/h1-11,16H,12-15H2,(H,29,37)(H,30,38).
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]phenyl]benzamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]phenyl]benzamide has a molecular weight of 510.51 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]phenyl]benzamide is sourced from PubChem (CID 18552976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).