N-(4-acetylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide

C23H16N2O4 — CID 1350847

IUPACN-(4-acetylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide
SMILESCC(=O)c1ccc(NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1
InChIInChI=1S/C23H16N2O4/c1-14(26)15-9-11-17(12-10-15)24-21(27)16-5-4-6-18(13-16)25-22(28)19-7-2-3-8-20(19)23(25)29/h2-13H,1H3,(H,24,27)
InChIKeyRTZSXVPSETUDMY-UHFFFAOYSA-N
MW384.39 g/mol
LogP3.94
Rot. Bonds4

About N-(4-acetylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide

N-(4-acetylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide (PubChem CID 1350847) has the molecular formula C23H16N2O4 and a molecular weight of 384.39 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide
PubChem CID1350847
Molecular FormulaC23H16N2O4
Molecular Weight384.39 g/mol
Exact Mass384.11
IUPAC NameN-(4-acetylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide
SMILESCC(=O)c1ccc(NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1
InChIInChI=1S/C23H16N2O4/c1-14(26)15-9-11-17(12-10-15)24-21(27)16-5-4-6-18(13-16)25-22(28)19-7-2-3-8-20(19)23(25)29/h2-13H,1H3,(H,24,27)
InChIKeyRTZSXVPSETUDMY-UHFFFAOYSA-N
XLogP3.94
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide?
The IUPAC name of N-(4-acetylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide (CID 1350847) is N-(4-acetylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide?
The canonical SMILES for N-(4-acetylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide is CC(=O)c1ccc(NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide?
The InChIKey is RTZSXVPSETUDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O4/c1-14(26)15-9-11-17(12-10-15)24-21(27)16-5-4-6-18(13-16)25-22(28)19-7-2-3-8-20(19)23(25)29/h2-13H,1H3,(H,24,27).
What are the key properties of N-(4-acetylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide?
N-(4-acetylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide has a molecular weight of 384.39 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide is sourced from PubChem (CID 1350847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).