N-(1,3-dioxoisoindol-5-yl)-4-methoxybenzamide

C16H12N2O4 — CID 2229869

IUPACN-(1,3-dioxoisoindol-5-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1
InChIInChI=1S/C16H12N2O4/c1-22-11-5-2-9(3-6-11)14(19)17-10-4-7-12-13(8-10)16(21)18-15(12)20/h2-8H,1H3,(H,17,19)(H,18,20,21)
InChIKeyILNWXMZIYSAMFC-UHFFFAOYSA-N
MW296.28 g/mol
LogP1.83
Rot. Bonds3

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

N-(1,3-dioxoisoindol-5-yl)-4-methoxybenzamide (PubChem CID 2229869) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-5-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-5-yl)-4-methoxybenzamide
PubChem CID2229869
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC NameN-(1,3-dioxoisoindol-5-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1
InChIInChI=1S/C16H12N2O4/c1-22-11-5-2-9(3-6-11)14(19)17-10-4-7-12-13(8-10)16(21)18-15(12)20/h2-8H,1H3,(H,17,19)(H,18,20,21)
InChIKeyILNWXMZIYSAMFC-UHFFFAOYSA-N
XLogP1.83
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 51.83
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 N-(1,3-dioxoisoindol-5-yl)-4-methoxybenzamide?
The IUPAC name of N-(1,3-dioxoisoindol-5-yl)-4-methoxybenzamide (CID 2229869) is N-(1,3-dioxoisoindol-5-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-5-yl)-4-methoxybenzamide?
The canonical SMILES for N-(1,3-dioxoisoindol-5-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1.
What is the InChIKey of N-(1,3-dioxoisoindol-5-yl)-4-methoxybenzamide?
The InChIKey is ILNWXMZIYSAMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c1-22-11-5-2-9(3-6-11)14(19)17-10-4-7-12-13(8-10)16(21)18-15(12)20/h2-8H,1H3,(H,17,19)(H,18,20,21).
What are the key properties of N-(1,3-dioxoisoindol-5-yl)-4-methoxybenzamide?
N-(1,3-dioxoisoindol-5-yl)-4-methoxybenzamide has a molecular weight of 296.28 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-5-yl)-4-methoxybenzamide is sourced from PubChem (CID 2229869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).