4-acetyl-N-(1,3-dioxoisoindol-5-yl)benzamide

C17H12N2O4 — CID 3291607

IUPAC4-acetyl-N-(1,3-dioxoisoindol-5-yl)benzamide
SMILESCC(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1
InChIInChI=1S/C17H12N2O4/c1-9(20)10-2-4-11(5-3-10)15(21)18-12-6-7-13-14(8-12)17(23)19-16(13)22/h2-8H,1H3,(H,18,21)(H,19,22,23)
InChIKeyGYOFRVJBBKXYJR-UHFFFAOYSA-N
MW308.29 g/mol
LogP2.03
Rot. Bonds3

About 4-acetyl-N-(1,3-dioxoisoindol-5-yl)benzamide

4-acetyl-N-(1,3-dioxoisoindol-5-yl)benzamide (PubChem CID 3291607) has the molecular formula C17H12N2O4 and a molecular weight of 308.29 g/mol. Its IUPAC name is 4-acetyl-N-(1,3-dioxoisoindol-5-yl)benzamide.

Molecular Properties

Compound Name4-acetyl-N-(1,3-dioxoisoindol-5-yl)benzamide
PubChem CID3291607
Molecular FormulaC17H12N2O4
Molecular Weight308.29 g/mol
Exact Mass308.08
IUPAC Name4-acetyl-N-(1,3-dioxoisoindol-5-yl)benzamide
SMILESCC(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1
InChIInChI=1S/C17H12N2O4/c1-9(20)10-2-4-11(5-3-10)15(21)18-12-6-7-13-14(8-12)17(23)19-16(13)22/h2-8H,1H3,(H,18,21)(H,19,22,23)
InChIKeyGYOFRVJBBKXYJR-UHFFFAOYSA-N
XLogP2.03
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
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 4-acetyl-N-(1,3-dioxoisoindol-5-yl)benzamide?
The IUPAC name of 4-acetyl-N-(1,3-dioxoisoindol-5-yl)benzamide (CID 3291607) is 4-acetyl-N-(1,3-dioxoisoindol-5-yl)benzamide.
What is the SMILES notation for 4-acetyl-N-(1,3-dioxoisoindol-5-yl)benzamide?
The canonical SMILES for 4-acetyl-N-(1,3-dioxoisoindol-5-yl)benzamide is CC(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1.
What is the InChIKey of 4-acetyl-N-(1,3-dioxoisoindol-5-yl)benzamide?
The InChIKey is GYOFRVJBBKXYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O4/c1-9(20)10-2-4-11(5-3-10)15(21)18-12-6-7-13-14(8-12)17(23)19-16(13)22/h2-8H,1H3,(H,18,21)(H,19,22,23).
What are the key properties of 4-acetyl-N-(1,3-dioxoisoindol-5-yl)benzamide?
4-acetyl-N-(1,3-dioxoisoindol-5-yl)benzamide has a molecular weight of 308.29 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(1,3-dioxoisoindol-5-yl)benzamide is sourced from PubChem (CID 3291607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).