N-(2,4-dimethylphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide

C18H16N2O3 — CID 26915292

IUPACN-(2,4-dimethylphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c(C)c1
InChIInChI=1S/C18H16N2O3/c1-10-4-7-15(11(2)8-10)19-16(21)12-5-6-13-14(9-12)18(23)20(3)17(13)22/h4-9H,1-3H3,(H,19,21)
InChIKeyGXMMAPHBQVDJHP-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.78
Rot. Bonds2

About N-(2,4-dimethylphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide

N-(2,4-dimethylphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide (PubChem CID 26915292) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
PubChem CID26915292
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-(2,4-dimethylphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c(C)c1
InChIInChI=1S/C18H16N2O3/c1-10-4-7-15(11(2)8-10)19-16(21)12-5-6-13-14(9-12)18(23)20(3)17(13)22/h4-9H,1-3H3,(H,19,21)
InChIKeyGXMMAPHBQVDJHP-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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Related Compounds

N-(2,4-dimethylphenyl)-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide
CID 4825497
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
N-(2,4-difluorophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 26360019
2-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoic acid
CID 921374
N-(4-hydroxy-2-methylphenyl)-2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide
CID 17380462
4-amino-N-(2,4-dimethylphenyl)benzamide
CID 835597
N-(2,5-dimethoxyphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 40567340
N-(2,4-dichlorophenyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 26720485
5-methyl-2-[[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoate
CID 7309248
5-[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione
CID 140839777
5-[2-[4-(2,4-dimethylphenyl)-3-methylphenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione
CID 90180947
4-N-(2,4-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049592

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide (CID 26915292) is N-(2,4-dimethylphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide is Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is GXMMAPHBQVDJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-10-4-7-15(11(2)8-10)19-16(21)12-5-6-13-14(9-12)18(23)20(3)17(13)22/h4-9H,1-3H3,(H,19,21).
What are the key properties of N-(2,4-dimethylphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide?
N-(2,4-dimethylphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide 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 N-(2,4-dimethylphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 26915292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).