2-(2,3-dimethylphenyl)-N-[2-(4-methylanilino)phenyl]-1,3-dioxoisoindole-5-carboxamide

C30H25N3O3 — CID 108767308

IUPAC2-(2,3-dimethylphenyl)-N-[2-(4-methylanilino)phenyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccc(Nc2ccccc2NC(=O)c2ccc3c(c2)C(=O)N(c2cccc(C)c2C)C3=O)cc1
InChIInChI=1S/C30H25N3O3/c1-18-11-14-22(15-12-18)31-25-8-4-5-9-26(25)32-28(34)21-13-16-23-24(17-21)30(36)33(29(23)35)27-10-6-7-19(2)20(27)3/h4-17,31H,1-3H3,(H,32,34)
InChIKeyBDOAAQCDOLLZGK-UHFFFAOYSA-N
MW475.55 g/mol
LogP6.41
Rot. Bonds5

About 2-(2,3-dimethylphenyl)-N-[2-(4-methylanilino)phenyl]-1,3-dioxoisoindole-5-carboxamide

2-(2,3-dimethylphenyl)-N-[2-(4-methylanilino)phenyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 108767308) has the molecular formula C30H25N3O3 and a molecular weight of 475.55 g/mol. Its IUPAC name is 2-(2,3-dimethylphenyl)-N-[2-(4-methylanilino)phenyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenyl)-N-[2-(4-methylanilino)phenyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID108767308
Molecular FormulaC30H25N3O3
Molecular Weight475.55 g/mol
Exact Mass475.19
IUPAC Name2-(2,3-dimethylphenyl)-N-[2-(4-methylanilino)phenyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccc(Nc2ccccc2NC(=O)c2ccc3c(c2)C(=O)N(c2cccc(C)c2C)C3=O)cc1
InChIInChI=1S/C30H25N3O3/c1-18-11-14-22(15-12-18)31-25-8-4-5-9-26(25)32-28(34)21-13-16-23-24(17-21)30(36)33(29(23)35)27-10-6-7-19(2)20(27)3/h4-17,31H,1-3H3,(H,32,34)
InChIKeyBDOAAQCDOLLZGK-UHFFFAOYSA-N
XLogP6.41
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.55
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,3-dimethylphenyl)-N-[2-(4-methylanilino)phenyl]-1,3-dioxoisoindole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-hydroxyphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1364800
N-[2-(2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]-2-methylbenzamide
CID 3536498
2-(4-benzoylphenyl)-N-(2,3-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 3605111
N-(3-chloro-4-methylphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 7900395
N-(5-fluoro-2-methylphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 7961430
2-(2,3-dimethylphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 108760669
2-(2,3-dimethylphenyl)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-1,3-dioxoisoindole-5-carboxamide
CID 108756481
3,4-difluoro-N-[2-(4-methylanilino)phenyl]benzamide
CID 108745099
N,2-bis(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1079613
2-(2,5-dimethylphenyl)-N-[2-(dimethylsulfamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 55985232
N-[2-(2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]-3-methylbutanamide
CID 3872761
4-chloro-N-[2-(4-methylanilino)phenyl]benzamide
CID 108767264

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenyl)-N-[2-(4-methylanilino)phenyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-(2,3-dimethylphenyl)-N-[2-(4-methylanilino)phenyl]-1,3-dioxoisoindole-5-carboxamide (CID 108767308) is 2-(2,3-dimethylphenyl)-N-[2-(4-methylanilino)phenyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-(2,3-dimethylphenyl)-N-[2-(4-methylanilino)phenyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-(2,3-dimethylphenyl)-N-[2-(4-methylanilino)phenyl]-1,3-dioxoisoindole-5-carboxamide is Cc1ccc(Nc2ccccc2NC(=O)c2ccc3c(c2)C(=O)N(c2cccc(C)c2C)C3=O)cc1.
What is the InChIKey of 2-(2,3-dimethylphenyl)-N-[2-(4-methylanilino)phenyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is BDOAAQCDOLLZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O3/c1-18-11-14-22(15-12-18)31-25-8-4-5-9-26(25)32-28(34)21-13-16-23-24(17-21)30(36)33(29(23)35)27-10-6-7-19(2)20(27)3/h4-17,31H,1-3H3,(H,32,34).
What are the key properties of 2-(2,3-dimethylphenyl)-N-[2-(4-methylanilino)phenyl]-1,3-dioxoisoindole-5-carboxamide?
2-(2,3-dimethylphenyl)-N-[2-(4-methylanilino)phenyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 475.55 g/mol, XLogP of 6.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenyl)-N-[2-(4-methylanilino)phenyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 108767308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).