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

C21H16N2O4 — CID 55838537

IUPAC4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(furan-3-ylmethyl)benzamide
SMILESO=C(NCc1ccoc1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C21H16N2O4/c24-19(22-11-15-9-10-27-13-15)16-7-5-14(6-8-16)12-23-20(25)17-3-1-2-4-18(17)21(23)26/h1-10,13H,11-12H2,(H,22,24)
InChIKeyGVYISPDWYUMBBL-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.01
Rot. Bonds5

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

4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(furan-3-ylmethyl)benzamide (PubChem CID 55838537) has the molecular formula C21H16N2O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(furan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(furan-3-ylmethyl)benzamide
PubChem CID55838537
Molecular FormulaC21H16N2O4
Molecular Weight360.37 g/mol
Exact Mass360.11
IUPAC Name4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(furan-3-ylmethyl)benzamide
SMILESO=C(NCc1ccoc1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C21H16N2O4/c24-19(22-11-15-9-10-27-13-15)16-7-5-14(6-8-16)12-23-20(25)17-3-1-2-4-18(17)21(23)26/h1-10,13H,11-12H2,(H,22,24)
InChIKeyGVYISPDWYUMBBL-UHFFFAOYSA-N
XLogP3.01
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.01
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

3-[[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55877403
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[[4-(1,4,7,10,13-pentaoxa-16-azacyclooctadecane-16-carbonyl)phenyl]methyl]benzamide
CID 127243735
4-(aminomethyl)-N-(furan-3-ylmethyl)benzamide
CID 104694164
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methylpropyl)benzamide
CID 32677765
N-(furan-3-ylmethyl)-4-hydroxybenzamide
CID 115870248
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylbenzamide
CID 2995396
2-benzyl-1,3-dioxo-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]isoindole-5-carboxamide
CID 38346112
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide
CID 55954551
methyl N-[4-[[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]phenyl]carbamate
CID 55732320
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)benzamide
CID 2994520
N-(furan-3-ylmethyl)-4-(phenylsulfamoyl)benzamide
CID 55700082
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 33327319

Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(furan-3-ylmethyl)benzamide?
The IUPAC name of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(furan-3-ylmethyl)benzamide (CID 55838537) is 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(furan-3-ylmethyl)benzamide.
What is the SMILES notation for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(furan-3-ylmethyl)benzamide?
The canonical SMILES for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(furan-3-ylmethyl)benzamide is O=C(NCc1ccoc1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(furan-3-ylmethyl)benzamide?
The InChIKey is GVYISPDWYUMBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4/c24-19(22-11-15-9-10-27-13-15)16-7-5-14(6-8-16)12-23-20(25)17-3-1-2-4-18(17)21(23)26/h1-10,13H,11-12H2,(H,22,24).
What are the key properties of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(furan-3-ylmethyl)benzamide?
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(furan-3-ylmethyl)benzamide has a molecular weight of 360.37 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(furan-3-ylmethyl)benzamide is sourced from PubChem (CID 55838537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).