N-(1,3-dioxoisoindol-4-yl)-2,4-dimethylbenzamide

C17H14N2O3 — CID 2086901

IUPACN-(1,3-dioxoisoindol-4-yl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc3c2C(=O)NC3=O)c(C)c1
InChIInChI=1S/C17H14N2O3/c1-9-6-7-11(10(2)8-9)15(20)18-13-5-3-4-12-14(13)17(22)19-16(12)21/h3-8H,1-2H3,(H,18,20)(H,19,21,22)
InChIKeyXWKYETHCSYDODB-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.44
Rot. Bonds2

About N-(1,3-dioxoisoindol-4-yl)-2,4-dimethylbenzamide

N-(1,3-dioxoisoindol-4-yl)-2,4-dimethylbenzamide (PubChem CID 2086901) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-4-yl)-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-4-yl)-2,4-dimethylbenzamide
PubChem CID2086901
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC NameN-(1,3-dioxoisoindol-4-yl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc3c2C(=O)NC3=O)c(C)c1
InChIInChI=1S/C17H14N2O3/c1-9-6-7-11(10(2)8-9)15(20)18-13-5-3-4-12-14(13)17(22)19-16(12)21/h3-8H,1-2H3,(H,18,20)(H,19,21,22)
InChIKeyXWKYETHCSYDODB-UHFFFAOYSA-N
XLogP2.44
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(1,3-dioxoisoindol-4-yl)benzamide
CID 9322151
(1,3-dioxoisoindol-4-yl)carbamic acid
CID 69050787
3,4-dichloro-N-(1,3-dioxoisoindol-4-yl)benzamide
CID 9324882
N-(2-ethylphenyl)-2,4-dimethylbenzamide
CID 953221
N-[2-(difluoromethylsulfanyl)phenyl]-2,4-dimethylbenzamide
CID 34737714
N-[2-(aminomethyl)phenyl]-2,4-dimethylbenzamide
CID 16772806
2,4-dimethyl-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide
CID 100766377
2,4-dimethyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 34748509
3-(dimethylsulfamoyl)-N-(1,3-dioxoisoindol-4-yl)benzamide
CID 2379537
2,4-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 43808455
N-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 2557643
N-(4-chloro-2-iodophenyl)-2,4-dimethylbenzamide
CID 113257834

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-4-yl)-2,4-dimethylbenzamide?
The IUPAC name of N-(1,3-dioxoisoindol-4-yl)-2,4-dimethylbenzamide (CID 2086901) is N-(1,3-dioxoisoindol-4-yl)-2,4-dimethylbenzamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-4-yl)-2,4-dimethylbenzamide?
The canonical SMILES for N-(1,3-dioxoisoindol-4-yl)-2,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2cccc3c2C(=O)NC3=O)c(C)c1.
What is the InChIKey of N-(1,3-dioxoisoindol-4-yl)-2,4-dimethylbenzamide?
The InChIKey is XWKYETHCSYDODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-9-6-7-11(10(2)8-9)15(20)18-13-5-3-4-12-14(13)17(22)19-16(12)21/h3-8H,1-2H3,(H,18,20)(H,19,21,22).
What are the key properties of N-(1,3-dioxoisoindol-4-yl)-2,4-dimethylbenzamide?
N-(1,3-dioxoisoindol-4-yl)-2,4-dimethylbenzamide has a molecular weight of 294.31 g/mol, XLogP of 2.44, 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-4-yl)-2,4-dimethylbenzamide is sourced from PubChem (CID 2086901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).