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

C30H22N2O4 — CID 3605111

IUPAC2-(4-benzoylphenyl)-N-(2,3-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C(=O)c4ccccc4)cc2)C3=O)c1C
InChIInChI=1S/C30H22N2O4/c1-18-7-6-10-26(19(18)2)31-28(34)22-13-16-24-25(17-22)30(36)32(29(24)35)23-14-11-21(12-15-23)27(33)20-8-4-3-5-9-20/h3-17H,1-2H3,(H,31,34)
InChIKeyRROZJEZUDHBUAL-UHFFFAOYSA-N
MW474.52 g/mol
LogP5.59
Rot. Bonds5

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

2-(4-benzoylphenyl)-N-(2,3-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 3605111) has the molecular formula C30H22N2O4 and a molecular weight of 474.52 g/mol. Its IUPAC name is 2-(4-benzoylphenyl)-N-(2,3-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(4-benzoylphenyl)-N-(2,3-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID3605111
Molecular FormulaC30H22N2O4
Molecular Weight474.52 g/mol
Exact Mass474.16
IUPAC Name2-(4-benzoylphenyl)-N-(2,3-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C(=O)c4ccccc4)cc2)C3=O)c1C
InChIInChI=1S/C30H22N2O4/c1-18-7-6-10-26(19(18)2)31-28(34)22-13-16-24-25(17-22)30(36)32(29(24)35)23-14-11-21(12-15-23)27(33)20-8-4-3-5-9-20/h3-17H,1-2H3,(H,31,34)
InChIKeyRROZJEZUDHBUAL-UHFFFAOYSA-N
XLogP5.59
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.52
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-benzoylphenyl)-N-(2,3-dimethylphenyl)-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

2-(4-ethoxyphenyl)-N-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 27166980
N-(2-methoxyphenyl)-2-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 1117009
2-(2,3-dimethylphenyl)-N-[2-(4-methylanilino)phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 108767308
[3-[5-[(2-hydroxyphenyl)carbamoyl]-1,3-dioxoisoindol-2-yl]phenyl] acetate
CID 1342600
3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056848
3-[[2-(3-benzoylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid
CID 3285684
N-(2-hydroxyphenyl)-2-(3-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1238748
N-(2-ethylphenyl)-2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1329424
N,2-bis(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1079613
N-(2,3-dimethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 7733040
N-(3-iodophenyl)-2-[4-[(3-iodophenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 3092324
3-[[2-(4-methoxycarbonylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid
CID 5009646

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylphenyl)-N-(2,3-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-(4-benzoylphenyl)-N-(2,3-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide (CID 3605111) is 2-(4-benzoylphenyl)-N-(2,3-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-(4-benzoylphenyl)-N-(2,3-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-(4-benzoylphenyl)-N-(2,3-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide is Cc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C(=O)c4ccccc4)cc2)C3=O)c1C.
What is the InChIKey of 2-(4-benzoylphenyl)-N-(2,3-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is RROZJEZUDHBUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2O4/c1-18-7-6-10-26(19(18)2)31-28(34)22-13-16-24-25(17-22)30(36)32(29(24)35)23-14-11-21(12-15-23)27(33)20-8-4-3-5-9-20/h3-17H,1-2H3,(H,31,34).
What are the key properties of 2-(4-benzoylphenyl)-N-(2,3-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide?
2-(4-benzoylphenyl)-N-(2,3-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 474.52 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylphenyl)-N-(2,3-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 3605111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).