2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]benzamide

C23H18N2O3 — CID 168517927

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccccc2N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C23H18N2O3/c1-15-10-12-16(13-11-15)14-24-21(26)19-8-4-5-9-20(19)25-22(27)17-6-2-3-7-18(17)23(25)28/h2-13H,14H2,1H3,(H,24,26)
InChIKeyWYPPUJJWFYQWJA-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.73
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]benzamide

2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 168517927) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]benzamide
PubChem CID168517927
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccccc2N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C23H18N2O3/c1-15-10-12-16(13-11-15)14-24-21(26)19-8-4-5-9-20(19)25-22(27)17-6-2-3-7-18(17)23(25)28/h2-13H,14H2,1H3,(H,24,26)
InChIKeyWYPPUJJWFYQWJA-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'}

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Related Compounds

N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide
CID 22567008
2-(1,3-dioxoisoindol-2-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 46862747
2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 168517912
N-(2,4-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)benzamide
CID 168516541
2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 4080899
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 7916782
2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 874332
2-[[2-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-2-methylpropanoic acid
CID 101120220
N-benzyl-2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 19132955
N-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 7959601
N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-methylbenzamide
CID 4937254
N-[(4-methylphenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
CID 26119072

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]benzamide (CID 168517927) is 2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CNC(=O)c2ccccc2N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is WYPPUJJWFYQWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c1-15-10-12-16(13-11-15)14-24-21(26)19-8-4-5-9-20(19)25-22(27)17-6-2-3-7-18(17)23(25)28/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]benzamide?
2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]benzamide 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 2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 168517927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).