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

C23H16Cl2N2O3 — CID 26720485

IUPACN-(2,4-dichlorophenyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4ccc(Cl)cc4Cl)cc3C2=O)c1
InChIInChI=1S/C23H16Cl2N2O3/c1-12-3-4-13(2)20(9-12)27-22(29)16-7-5-14(10-17(16)23(27)30)21(28)26-19-8-6-15(24)11-18(19)25/h3-11H,1-2H3,(H,26,28)
InChIKeyBRVXWZGNXZQEJC-UHFFFAOYSA-N
MW439.30 g/mol
LogP5.66
Rot. Bonds3

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

N-(2,4-dichlorophenyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 26720485) has the molecular formula C23H16Cl2N2O3 and a molecular weight of 439.30 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID26720485
Molecular FormulaC23H16Cl2N2O3
Molecular Weight439.30 g/mol
Exact Mass438.05
IUPAC NameN-(2,4-dichlorophenyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4ccc(Cl)cc4Cl)cc3C2=O)c1
InChIInChI=1S/C23H16Cl2N2O3/c1-12-3-4-13(2)20(9-12)27-22(29)16-7-5-14(10-17(16)23(27)30)21(28)26-19-8-6-15(24)11-18(19)25/h3-11H,1-2H3,(H,26,28)
InChIKeyBRVXWZGNXZQEJC-UHFFFAOYSA-N
XLogP5.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.30
LogP ≤ 55.66
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-(2,5-difluorophenyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 26360335
N-[(3-chlorophenyl)methyl]-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 9401718
[1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 4055441
2-(2,5-dimethylphenyl)-N-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 40589292
2-(2,5-dimethylphenyl)-N-[2-(dimethylsulfamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 55985232
2-(2,5-dimethylphenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 3639161
N-(4-carbamoyl-3-methylphenyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 56518238
methyl 2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 823424
2-(2,4-dichlorophenyl)-5-[2-(2,4-dichlorophenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
CID 129198914
2-(2,5-dimethylphenyl)-N-[2-(methylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119504031
5-[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione
CID 140839777
N-(2,3-dihydro-1H-inden-5-yl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 40706621

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide (CID 26720485) is N-(2,4-dichlorophenyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide is Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4ccc(Cl)cc4Cl)cc3C2=O)c1.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is BRVXWZGNXZQEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N2O3/c1-12-3-4-13(2)20(9-12)27-22(29)16-7-5-14(10-17(16)23(27)30)21(28)26-19-8-6-15(24)11-18(19)25/h3-11H,1-2H3,(H,26,28).
What are the key properties of N-(2,4-dichlorophenyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide?
N-(2,4-dichlorophenyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 439.30 g/mol, XLogP of 5.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 26720485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).