2-(1,3-dioxoisoindol-2-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide

C21H16N2O4 — CID 46862747

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccccc2N2C(=O)c3ccccc3C2=O)o1
InChIInChI=1S/C21H16N2O4/c1-13-10-11-14(27-13)12-22-19(24)17-8-4-5-9-18(17)23-20(25)15-6-2-3-7-16(15)21(23)26/h2-11H,12H2,1H3,(H,22,24)
InChIKeyAPOIGNJJEFVHKR-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.32
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide

2-(1,3-dioxoisoindol-2-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide (PubChem CID 46862747) has the molecular formula C21H16N2O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide
PubChem CID46862747
Molecular FormulaC21H16N2O4
Molecular Weight360.37 g/mol
Exact Mass360.11
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccccc2N2C(=O)c3ccccc3C2=O)o1
InChIInChI=1S/C21H16N2O4/c1-13-10-11-14(27-13)12-22-19(24)17-8-4-5-9-18(17)23-20(25)15-6-2-3-7-16(15)21(23)26/h2-11H,12H2,1H3,(H,22,24)
InChIKeyAPOIGNJJEFVHKR-UHFFFAOYSA-N
XLogP3.32
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]benzamide
CID 168517927
2-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731650
2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731629
2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 168517912
2-[[2-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-2-methylpropanoic acid
CID 101120220
2-amino-5-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 62523939
2-(ethylamino)-3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 62660746
4-[(4-benzyl-2,3-dioxopiperazin-1-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 53135627
3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731628
N-(2,4-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)benzamide
CID 168516541
1-N-[(5-methylfuran-2-yl)methyl]-2-N-(1-methyl-5-phenylimidazol-2-yl)benzene-1,2-dicarboxamide
CID 3594007
2-hydrazinyl-5-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 62523072

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide (CID 46862747) is 2-(1,3-dioxoisoindol-2-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide is Cc1ccc(CNC(=O)c2ccccc2N2C(=O)c3ccccc3C2=O)o1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide?
The InChIKey is APOIGNJJEFVHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4/c1-13-10-11-14(27-13)12-22-19(24)17-8-4-5-9-18(17)23-20(25)15-6-2-3-7-16(15)21(23)26/h2-11H,12H2,1H3,(H,22,24).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide?
2-(1,3-dioxoisoindol-2-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide has a molecular weight of 360.37 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide is sourced from PubChem (CID 46862747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).