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

C25H17N3O5 — CID 5241135

IUPAC2-(2,4-dimethylphenyl)-N-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccc(N2C(=O)c3ccc(C(=O)NN4C(=O)c5ccccc5C4=O)cc3C2=O)c(C)c1
InChIInChI=1S/C25H17N3O5/c1-13-7-10-20(14(2)11-13)27-22(30)18-9-8-15(12-19(18)23(27)31)21(29)26-28-24(32)16-5-3-4-6-17(16)25(28)33/h3-12H,1-2H3,(H,26,29)
InChIKeyDDGNVKYIQOCWMQ-UHFFFAOYSA-N
MW439.43 g/mol
LogP3.05
Rot. Bonds3

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

2-(2,4-dimethylphenyl)-N-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 5241135) has the molecular formula C25H17N3O5 and a molecular weight of 439.43 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-N-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID5241135
Molecular FormulaC25H17N3O5
Molecular Weight439.43 g/mol
Exact Mass439.12
IUPAC Name2-(2,4-dimethylphenyl)-N-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccc(N2C(=O)c3ccc(C(=O)NN4C(=O)c5ccccc5C4=O)cc3C2=O)c(C)c1
InChIInChI=1S/C25H17N3O5/c1-13-7-10-20(14(2)11-13)27-22(30)18-9-8-15(12-19(18)23(27)31)21(29)26-28-24(32)16-5-3-4-6-17(16)25(28)33/h3-12H,1-2H3,(H,26,29)
InChIKeyDDGNVKYIQOCWMQ-UHFFFAOYSA-N
XLogP3.05
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-(2,4-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzene-1,3-dicarboxylic acid
CID 1036032
2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 4596269
N-tert-butyl-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 4793298
3-(1,3-dioxoisoindol-2-yl)-N,4-dimethylbenzamide
CID 168516556
N-(4-hydroxyphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1364800
2-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 9488931
methyl 2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 823424
N-[4-[(1,3-dioxoisoindol-2-yl)carbamoyl]phenyl]-3-methylbenzamide
CID 1010974
2-(2,5-dimethylphenyl)-N-[2-(methylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119504031
N-(1,3-dioxoisoindol-2-yl)-1,3-dioxo-2-(1,3-thiazol-2-yl)isoindole-5-carboxamide
CID 554603
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(2,4-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 108762777
2-(2,4-dimethylphenyl)-1,3-dioxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)isoindole-5-carboxamide
CID 108764600

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-N-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-N-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindole-5-carboxamide (CID 5241135) is 2-(2,4-dimethylphenyl)-N-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-N-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-N-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindole-5-carboxamide is Cc1ccc(N2C(=O)c3ccc(C(=O)NN4C(=O)c5ccccc5C4=O)cc3C2=O)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-N-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is DDGNVKYIQOCWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3O5/c1-13-7-10-20(14(2)11-13)27-22(30)18-9-8-15(12-19(18)23(27)31)21(29)26-28-24(32)16-5-3-4-6-17(16)25(28)33/h3-12H,1-2H3,(H,26,29).
What are the key properties of 2-(2,4-dimethylphenyl)-N-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindole-5-carboxamide?
2-(2,4-dimethylphenyl)-N-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 439.43 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-N-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 5241135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).