N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-methylbenzamide

C23H18N2O3 — CID 4937254

IUPACN-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1ccccc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H18N2O3/c1-24(15-16-9-3-2-4-10-16)21(26)19-13-7-8-14-20(19)25-22(27)17-11-5-6-12-18(17)23(25)28/h2-14H,15H2,1H3
InChIKeyWJHUHJBNXBLCSR-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.76
Rot. Bonds4

About N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-methylbenzamide

N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-methylbenzamide (PubChem CID 4937254) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-methylbenzamide
PubChem CID4937254
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC NameN-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1ccccc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H18N2O3/c1-24(15-16-9-3-2-4-10-16)21(26)19-13-7-8-14-20(19)25-22(27)17-11-5-6-12-18(17)23(25)28/h2-14H,15H2,1H3
InChIKeyWJHUHJBNXBLCSR-UHFFFAOYSA-N
XLogP3.76
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-[(4-methylphenyl)methyl]carbamoyl]benzoic acid
CID 28798661
2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]benzamide
CID 168517927
2-[(4-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
CID 43399775
2-(4-acetamidopiperidin-1-yl)-N-benzyl-N-methylbenzamide
CID 46038155
N-benzyl-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-methylacetamide
CID 84572827
N-benzyl-N-methyl-2-phenoxybenzamide
CID 3401624
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 4820736
2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]benzoic acid
CID 60951116
N-benzyl-2-bromo-N-methylpyridine-3-carboxamide
CID 103751706
N-benzyl-N,1,2,5-tetramethylpyrrole-3-carboxamide
CID 110691243
N-benzyl-5-ethyl-2,4-dihydroxy-N-methylbenzamide
CID 143307644

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-methylbenzamide?
The IUPAC name of N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-methylbenzamide (CID 4937254) is N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-methylbenzamide.
What is the SMILES notation for N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-methylbenzamide?
The canonical SMILES for N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-methylbenzamide is CN(Cc1ccccc1)C(=O)c1ccccc1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-methylbenzamide?
The InChIKey is WJHUHJBNXBLCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c1-24(15-16-9-3-2-4-10-16)21(26)19-13-7-8-14-20(19)25-22(27)17-11-5-6-12-18(17)23(25)28/h2-14H,15H2,1H3.
What are the key properties of N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-methylbenzamide?
N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-methylbenzamide has a molecular weight of 370.41 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-methylbenzamide is sourced from PubChem (CID 4937254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).