2-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide

C24H20N2O3 — CID 9488931

IUPAC2-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccccc1CNC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1C)C2=O
InChIInChI=1S/C24H20N2O3/c1-15-7-3-5-9-18(15)14-25-22(27)17-11-12-19-20(13-17)24(29)26(23(19)28)21-10-6-4-8-16(21)2/h3-13H,14H2,1-2H3,(H,25,27)
InChIKeyPAQLKLMOPPTEHD-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.03
Rot. Bonds4

About 2-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide

2-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 9488931) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID9488931
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name2-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccccc1CNC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1C)C2=O
InChIInChI=1S/C24H20N2O3/c1-15-7-3-5-9-18(15)14-25-22(27)17-11-12-19-20(13-17)24(29)26(23(19)28)21-10-6-4-8-16(21)2/h3-13H,14H2,1-2H3,(H,25,27)
InChIKeyPAQLKLMOPPTEHD-UHFFFAOYSA-N
XLogP4.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.03
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-methoxyphenyl)methyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 7959601
N-tert-butyl-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 4793298
N-[(2-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-4-methylbenzamide
CID 17362843
N-[(2-methylphenyl)methyl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 46653554
N-(4-hydroxyphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1364800
2-(2-methylphenyl)-1,3-dioxo-N-[3-(1-phenylethoxy)propyl]isoindole-5-carboxamide
CID 46557209
1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054196
2-(2-methylphenyl)-1,3-dioxo-N-[(1S)-1-thiophen-2-ylethyl]isoindole-5-carboxamide
CID 51534415
N-(3-chloro-4-methylphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 7900395
N-(5-fluoro-2-methylphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 7961430
N-benzyl-1,3-dioxo-2-(2,4,6-trimethylphenyl)isoindole-5-carboxamide
CID 9320693
2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 4596269

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide (CID 9488931) is 2-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide is Cc1ccccc1CNC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1C)C2=O.
What is the InChIKey of 2-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is PAQLKLMOPPTEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-15-7-3-5-9-18(15)14-25-22(27)17-11-12-19-20(13-17)24(29)26(23(19)28)21-10-6-4-8-16(21)2/h3-13H,14H2,1-2H3,(H,25,27).
What are the key properties of 2-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide?
2-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 9488931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).