2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(furan-2-ylmethyl)acetamide

C21H16N2O4 — CID 110343476

IUPAC2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(Cc1ccc(N2C(=O)c3ccccc3C2=O)cc1)NCc1ccco1
InChIInChI=1S/C21H16N2O4/c24-19(22-13-16-4-3-11-27-16)12-14-7-9-15(10-8-14)23-20(25)17-5-1-2-6-18(17)21(23)26/h1-11H,12-13H2,(H,22,24)
InChIKeyLYBVFAFWZHCEQS-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.94
Rot. Bonds5

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

2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 110343476) has the molecular formula C21H16N2O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID110343476
Molecular FormulaC21H16N2O4
Molecular Weight360.37 g/mol
Exact Mass360.11
IUPAC Name2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(Cc1ccc(N2C(=O)c3ccccc3C2=O)cc1)NCc1ccco1
InChIInChI=1S/C21H16N2O4/c24-19(22-13-16-4-3-11-27-16)12-14-7-9-15(10-8-14)23-20(25)17-5-1-2-6-18(17)21(23)26/h1-11H,12-13H2,(H,22,24)
InChIKeyLYBVFAFWZHCEQS-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
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-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 110343482
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(2-phenylethyl)acetamide
CID 110343488
11-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)undecanamide
CID 8796994
6-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)hexanamide
CID 647827
2-(4-cyanophenyl)-N-(furan-2-ylmethyl)acetamide
CID 62404887
N-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771277
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]furan-2-carboxamide
CID 923784
1-benzyl-3-[[4-(1,3-dioxoisoindol-2-yl)phenyl]methyl]urea
CID 66491140
N-(furan-2-ylmethyl)-2-naphthalen-1-ylacetamide
CID 823822
[2-(furan-2-ylmethylamino)-2-oxoethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 2363987
2-[4-[1-(2-anilino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]phenyl]-N-(furan-2-ylmethyl)acetamide
CID 50762678
2-[4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)phenyl]-N-(furan-2-ylmethyl)acetamide
CID 18592379

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(furan-2-ylmethyl)acetamide (CID 110343476) is 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(furan-2-ylmethyl)acetamide is O=C(Cc1ccc(N2C(=O)c3ccccc3C2=O)cc1)NCc1ccco1.
What is the InChIKey of 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is LYBVFAFWZHCEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4/c24-19(22-13-16-4-3-11-27-16)12-14-7-9-15(10-8-14)23-20(25)17-5-1-2-6-18(17)21(23)26/h1-11H,12-13H2,(H,22,24).
What are the key properties of 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(furan-2-ylmethyl)acetamide?
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 360.37 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 110343476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).