N-benzyl-2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide

C23H18N2O3 — CID 19132955

IUPACN-benzyl-2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccc(N2C(=O)c3ccc(C(=O)NCc4ccccc4)cc3C2=O)cc1
InChIInChI=1S/C23H18N2O3/c1-15-7-10-18(11-8-15)25-22(27)19-12-9-17(13-20(19)23(25)28)21(26)24-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,24,26)
InChIKeyBUJLRJDODQWEBB-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.73
Rot. Bonds4

About N-benzyl-2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide

N-benzyl-2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 19132955) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-benzyl-2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID19132955
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC NameN-benzyl-2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccc(N2C(=O)c3ccc(C(=O)NCc4ccccc4)cc3C2=O)cc1
InChIInChI=1S/C23H18N2O3/c1-15-7-10-18(11-8-15)25-22(27)19-12-9-17(13-20(19)23(25)28)21(26)24-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,24,26)
InChIKeyBUJLRJDODQWEBB-UHFFFAOYSA-N
XLogP3.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-benzyl-2-(4-methylphenyl)-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-benzyl-1,3-dioxo-2-(2,4,6-trimethylphenyl)isoindole-5-carboxamide
CID 9320693
N-benzyl-1,3-dioxo-2-propylisoindole-5-carboxamide
CID 3391897
2-(3-methylphenyl)-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide
CID 17361193
3-[[[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]methyl]benzoic acid
CID 108767656
2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 759366
N,2-bis(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1079613
2-(4-ethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 26659419
2-(4-ethoxyphenyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide
CID 55587486
N-[(3-chlorophenyl)methyl]-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 9401718
1-benzyl-3-[[4-(1,3-dioxoisoindol-2-yl)phenyl]methyl]urea
CID 66491140
N-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 7959601
[2-(benzylamino)-2-oxoethyl] 2-(4-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 4801085

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-benzyl-2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide (CID 19132955) is N-benzyl-2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-benzyl-2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-benzyl-2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide is Cc1ccc(N2C(=O)c3ccc(C(=O)NCc4ccccc4)cc3C2=O)cc1.
What is the InChIKey of N-benzyl-2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is BUJLRJDODQWEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c1-15-7-10-18(11-8-15)25-22(27)19-12-9-17(13-20(19)23(25)28)21(26)24-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of N-benzyl-2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
N-benzyl-2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 19132955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).