2,4-dimethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide

C18H16N2O3 — CID 953280

IUPAC2,4-dimethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)c(C)c1
InChIInChI=1S/C18H16N2O3/c1-10-4-6-13(11(2)8-10)16(21)19-12-5-7-14-15(9-12)18(23)20(3)17(14)22/h4-9H,1-3H3,(H,19,21)
InChIKeyMKQLIZCKCSIPFM-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.78
Rot. Bonds2

About 2,4-dimethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide

2,4-dimethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide (PubChem CID 953280) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2,4-dimethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
PubChem CID953280
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name2,4-dimethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)c(C)c1
InChIInChI=1S/C18H16N2O3/c1-10-4-6-13(11(2)8-10)16(21)19-12-5-7-14-15(9-12)18(23)20(3)17(14)22/h4-9H,1-3H3,(H,19,21)
InChIKeyMKQLIZCKCSIPFM-UHFFFAOYSA-N
XLogP2.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
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 2,4-dimethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide?
The IUPAC name of 2,4-dimethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide (CID 953280) is 2,4-dimethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide.
What is the SMILES notation for 2,4-dimethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide?
The canonical SMILES for 2,4-dimethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide is Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide?
The InChIKey is MKQLIZCKCSIPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-10-4-6-13(11(2)8-10)16(21)19-12-5-7-14-15(9-12)18(23)20(3)17(14)22/h4-9H,1-3H3,(H,19,21).
What are the key properties of 2,4-dimethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide?
2,4-dimethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide has a molecular weight of 308.34 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide is sourced from PubChem (CID 953280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).