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

C17H14N2O3 — CID 168516556

IUPAC3-(1,3-dioxoisoindol-2-yl)-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C17H14N2O3/c1-10-7-8-11(15(20)18-2)9-14(10)19-16(21)12-5-3-4-6-13(12)17(19)22/h3-9H,1-2H3,(H,18,20)
InChIKeyHQVQWNAGLIPWLA-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.16
Rot. Bonds2

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

3-(1,3-dioxoisoindol-2-yl)-N,4-dimethylbenzamide (PubChem CID 168516556) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N,4-dimethylbenzamide
PubChem CID168516556
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C17H14N2O3/c1-10-7-8-11(15(20)18-2)9-14(10)19-16(21)12-5-3-4-6-13(12)17(19)22/h3-9H,1-2H3,(H,18,20)
InChIKeyHQVQWNAGLIPWLA-UHFFFAOYSA-N
XLogP2.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.16
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

3-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(2-methylpropyl)benzamide
CID 17359363
N-[(2-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-4-methylbenzamide
CID 17362843
2-[[3-(1,3-dioxoisoindol-2-yl)-4-methylbenzoyl]amino]-5-hydroxybenzoic acid
CID 17370705
N-(3-chloro-4-methylphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 7900395
2-(2,4-dimethylphenyl)-N-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindole-5-carboxamide
CID 5241135
N-tert-butyl-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 4793298
3-[13-(5-carboxy-2-methylphenyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-4-methylbenzoic acid
CID 4079543
2-(2,5-dimethylphenyl)-N-[2-(methylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119504031
4-chloro-3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)benzamide
CID 2226714
2-(2,5-dimethylphenyl)-N-[3-(methylamino)propyl]-1,3-dioxoisoindole-5-carboxamide
CID 119433889
2-(1,3-dioxoisoindol-2-yl)-5-fluoro-N-methylbenzamide
CID 168517272
N-(5-fluoro-2-methylphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 7961430

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N,4-dimethylbenzamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N,4-dimethylbenzamide (CID 168516556) is 3-(1,3-dioxoisoindol-2-yl)-N,4-dimethylbenzamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N,4-dimethylbenzamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N,4-dimethylbenzamide is CNC(=O)c1ccc(C)c(N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N,4-dimethylbenzamide?
The InChIKey is HQVQWNAGLIPWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-10-7-8-11(15(20)18-2)9-14(10)19-16(21)12-5-3-4-6-13(12)17(19)22/h3-9H,1-2H3,(H,18,20).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N,4-dimethylbenzamide?
3-(1,3-dioxoisoindol-2-yl)-N,4-dimethylbenzamide has a molecular weight of 294.31 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N,4-dimethylbenzamide is sourced from PubChem (CID 168516556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).