N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]-2-(4-methylphenyl)acetamide

C23H20N2O3 — CID 113083485

IUPACN-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCCN2C(=O)c3cc4ccccc4cc3C2=O)cc1
InChIInChI=1S/C23H20N2O3/c1-15-6-8-16(9-7-15)12-21(26)24-10-11-25-22(27)19-13-17-4-2-3-5-18(17)14-20(19)23(25)28/h2-9,13-14H,10-12H2,1H3,(H,24,26)
InChIKeyJVDLWUQLVHLBQN-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.10
Rot. Bonds5

About N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]-2-(4-methylphenyl)acetamide

N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]-2-(4-methylphenyl)acetamide (PubChem CID 113083485) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]-2-(4-methylphenyl)acetamide
PubChem CID113083485
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC NameN-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCCN2C(=O)c3cc4ccccc4cc3C2=O)cc1
InChIInChI=1S/C23H20N2O3/c1-15-6-8-16(9-7-15)12-21(26)24-10-11-25-22(27)19-13-17-4-2-3-5-18(17)14-20(19)23(25)28/h2-9,13-14H,10-12H2,1H3,(H,24,26)
InChIKeyJVDLWUQLVHLBQN-UHFFFAOYSA-N
XLogP3.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.10
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-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]-2-methylpropanamide
CID 113083442
N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113082264
3,3-dimethyl-N-[2-(5-methyl-1,3-dioxoisoindol-2-yl)ethyl]butanamide
CID 170299020
4-(1,3-dioxoisoindol-2-yl)-N-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]butanamide
CID 108538869
N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 110719140
N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-2-phenylacetamide
CID 113082354
N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 113082355
2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 874332
N-[2-[5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-phenylacetamide
CID 4694380
3-(1,3-dioxoisoindol-2-yl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]propanamide
CID 55379953
N-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]ethyl]-4-methylbenzamide
CID 108537946
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-(2-oxopropylsulfanyl)acetamide
CID 153346651

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]-2-(4-methylphenyl)acetamide (CID 113083485) is N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)NCCN2C(=O)c3cc4ccccc4cc3C2=O)cc1.
What is the InChIKey of N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]-2-(4-methylphenyl)acetamide?
The InChIKey is JVDLWUQLVHLBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-15-6-8-16(9-7-15)12-21(26)24-10-11-25-22(27)19-13-17-4-2-3-5-18(17)14-20(19)23(25)28/h2-9,13-14H,10-12H2,1H3,(H,24,26).
What are the key properties of N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]-2-(4-methylphenyl)acetamide?
N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]-2-(4-methylphenyl)acetamide has a molecular weight of 372.42 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 113083485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).