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

C26H22N2O3 — CID 46642561

IUPAC4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESO=C(NC1CCCc2ccccc21)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C26H22N2O3/c29-24(27-23-11-5-7-18-6-1-2-8-20(18)23)19-14-12-17(13-15-19)16-28-25(30)21-9-3-4-10-22(21)26(28)31/h1-4,6,8-10,12-15,23H,5,7,11,16H2,(H,27,29)
InChIKeyVELWZMAOTZKAHE-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.29
Rot. Bonds4

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

4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (PubChem CID 46642561) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.

Molecular Properties

Compound Name4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
PubChem CID46642561
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC Name4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESO=C(NC1CCCc2ccccc21)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C26H22N2O3/c29-24(27-23-11-5-7-18-6-1-2-8-20(18)23)19-14-12-17(13-15-19)16-28-25(30)21-9-3-4-10-22(21)26(28)31/h1-4,6,8-10,12-15,23H,5,7,11,16H2,(H,27,29)
InChIKeyVELWZMAOTZKAHE-UHFFFAOYSA-N
XLogP4.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 32745572
4-(aminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide;hydrochloride
CID 119263397
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-benzyl-1,3-dioxoisoindole-5-carboxylate
CID 31132723
4-(sulfamoylmethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 95146458
4-bromo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450710
4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,4-dicarboxamide
CID 42916066
4-[(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)methyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 92895115
4-(2,5-dioxopyrrolidin-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2683079
4-[(2R)-3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 92678114
(11S)-5-ethyl-6,11-dioxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzo[b][1,4]benzothiazepine-3-carboxamide
CID 92901444
4-[(4-methylphenyl)sulfanylmethyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 94012649
4-(piperidin-1-ylsulfonylmethyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 99132083

Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The IUPAC name of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (CID 46642561) is 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.
What is the SMILES notation for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The canonical SMILES for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is O=C(NC1CCCc2ccccc21)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The InChIKey is VELWZMAOTZKAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3/c29-24(27-23-11-5-7-18-6-1-2-8-20(18)23)19-14-12-17(13-15-19)16-28-25(30)21-9-3-4-10-22(21)26(28)31/h1-4,6,8-10,12-15,23H,5,7,11,16H2,(H,27,29).
What are the key properties of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide has a molecular weight of 410.47 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is sourced from PubChem (CID 46642561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).