N-(4-acetyl-2-benzoylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide

C25H18N2O5 — CID 154103917

IUPACN-(4-acetyl-2-benzoylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C25H18N2O5/c1-15(28)17-11-12-21(20(13-17)23(30)16-7-3-2-4-8-16)26-22(29)14-27-24(31)18-9-5-6-10-19(18)25(27)32/h2-13H,14H2,1H3,(H,26,29)
InChIKeyNOIBKWJJKUZFPT-UHFFFAOYSA-N
MW426.43 g/mol
LogP3.35
Rot. Bonds6

About N-(4-acetyl-2-benzoylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide

N-(4-acetyl-2-benzoylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 154103917) has the molecular formula C25H18N2O5 and a molecular weight of 426.43 g/mol. Its IUPAC name is N-(4-acetyl-2-benzoylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetyl-2-benzoylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID154103917
Molecular FormulaC25H18N2O5
Molecular Weight426.43 g/mol
Exact Mass426.12
IUPAC NameN-(4-acetyl-2-benzoylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C25H18N2O5/c1-15(28)17-11-12-21(20(13-17)23(30)16-7-3-2-4-8-16)26-22(29)14-27-24(31)18-9-5-6-10-19(18)25(27)32/h2-13H,14H2,1H3,(H,26,29)
InChIKeyNOIBKWJJKUZFPT-UHFFFAOYSA-N
XLogP3.35
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 53.35
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

N-(3-benzoyl-4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 4295908
N-(2-acetamidophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 973448
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide
CID 4692603
N-(2-amino-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 28867092
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 8874197
N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 884604
N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylacetamide
CID 1360092
5-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzene-1,3-dicarboxylic acid
CID 1248714
N-(4-chloro-2-fluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2711737
N-(2-benzoylphenyl)-2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 7359700
N-(5-acetyl-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 110604119
N-(2-benzoyl-4-chlorophenyl)-2-piperidin-1-ylacetamide;hydrochloride
CID 3039234

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-2-benzoylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-(4-acetyl-2-benzoylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 154103917) is N-(4-acetyl-2-benzoylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-(4-acetyl-2-benzoylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-(4-acetyl-2-benzoylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide is CC(=O)c1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c(C(=O)c2ccccc2)c1.
What is the InChIKey of N-(4-acetyl-2-benzoylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is NOIBKWJJKUZFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O5/c1-15(28)17-11-12-21(20(13-17)23(30)16-7-3-2-4-8-16)26-22(29)14-27-24(31)18-9-5-6-10-19(18)25(27)32/h2-13H,14H2,1H3,(H,26,29).
What are the key properties of N-(4-acetyl-2-benzoylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-(4-acetyl-2-benzoylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 426.43 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-2-benzoylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 154103917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).