N-(furan-2-ylmethyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide

C15H11N3O6 — CID 2360409

IUPACN-(furan-2-ylmethyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NCc1ccco1
InChIInChI=1S/C15H11N3O6/c19-13(16-7-10-2-1-5-24-10)8-17-14(20)11-4-3-9(18(22)23)6-12(11)15(17)21/h1-6H,7-8H2,(H,16,19)
InChIKeyPJKJWCPAZGVNFY-UHFFFAOYSA-N
MW329.27 g/mol
LogP1.10
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide

N-(furan-2-ylmethyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 2360409) has the molecular formula C15H11N3O6 and a molecular weight of 329.27 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
PubChem CID2360409
Molecular FormulaC15H11N3O6
Molecular Weight329.27 g/mol
Exact Mass329.06
IUPAC NameN-(furan-2-ylmethyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NCc1ccco1
InChIInChI=1S/C15H11N3O6/c19-13(16-7-10-2-1-5-24-10)8-17-14(20)11-4-3-9(18(22)23)6-12(11)15(17)21/h1-6H,7-8H2,(H,16,19)
InChIKeyPJKJWCPAZGVNFY-UHFFFAOYSA-N
XLogP1.10
TPSA122.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide (CID 2360409) is N-(furan-2-ylmethyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide is O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is PJKJWCPAZGVNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O6/c19-13(16-7-10-2-1-5-24-10)8-17-14(20)11-4-3-9(18(22)23)6-12(11)15(17)21/h1-6H,7-8H2,(H,16,19).
What are the key properties of N-(furan-2-ylmethyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide?
N-(furan-2-ylmethyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 329.27 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 2360409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).