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

C16H12N2O3 — CID 7157927

IUPACN-(1,3-dioxoisoindol-5-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1
InChIInChI=1S/C16H12N2O3/c1-9-2-4-10(5-3-9)14(19)17-11-6-7-12-13(8-11)16(21)18-15(12)20/h2-8H,1H3,(H,17,19)(H,18,20,21)
InChIKeyMBIKTHQSXFBPRL-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.13
Rot. Bonds2

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

N-(1,3-dioxoisoindol-5-yl)-4-methylbenzamide (PubChem CID 7157927) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-5-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-5-yl)-4-methylbenzamide
PubChem CID7157927
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC NameN-(1,3-dioxoisoindol-5-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1
InChIInChI=1S/C16H12N2O3/c1-9-2-4-10(5-3-9)14(19)17-11-6-7-12-13(8-11)16(21)18-15(12)20/h2-8H,1H3,(H,17,19)(H,18,20,21)
InChIKeyMBIKTHQSXFBPRL-UHFFFAOYSA-N
XLogP2.13
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-methylbenzamide?
The IUPAC name of N-(1,3-dioxoisoindol-5-yl)-4-methylbenzamide (CID 7157927) is N-(1,3-dioxoisoindol-5-yl)-4-methylbenzamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-5-yl)-4-methylbenzamide?
The canonical SMILES for N-(1,3-dioxoisoindol-5-yl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1.
What is the InChIKey of N-(1,3-dioxoisoindol-5-yl)-4-methylbenzamide?
The InChIKey is MBIKTHQSXFBPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-9-2-4-10(5-3-9)14(19)17-11-6-7-12-13(8-11)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-methylbenzamide?
N-(1,3-dioxoisoindol-5-yl)-4-methylbenzamide has a molecular weight of 280.28 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-5-yl)-4-methylbenzamide is sourced from PubChem (CID 7157927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).