2-(4-acetamidophenyl)-N-(furan-2-ylmethyl)ethanimidoyl cyanide

C16H15N3O2 — CID 7308521

IUPAC2-(4-acetamidophenyl)-N-(furan-2-ylmethyl)ethanimidoyl cyanide
SMILESCC(=O)Nc1ccc(C/C(C#N)=N/Cc2ccco2)cc1
InChIInChI=1S/C16H15N3O2/c1-12(20)19-14-6-4-13(5-7-14)9-15(10-17)18-11-16-3-2-8-21-16/h2-8H,9,11H2,1H3,(H,19,20)/b18-15-
InChIKeyGMPVWYOYDKUOQL-SDXDJHTJSA-N
MW281.31 g/mol
LogP2.95
Rot. Bonds5

About 2-(4-acetamidophenyl)-N-(furan-2-ylmethyl)ethanimidoyl cyanide

2-(4-acetamidophenyl)-N-(furan-2-ylmethyl)ethanimidoyl cyanide (PubChem CID 7308521) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-(furan-2-ylmethyl)ethanimidoyl cyanide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-(furan-2-ylmethyl)ethanimidoyl cyanide
PubChem CID7308521
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name2-(4-acetamidophenyl)-N-(furan-2-ylmethyl)ethanimidoyl cyanide
SMILESCC(=O)Nc1ccc(C/C(C#N)=N/Cc2ccco2)cc1
InChIInChI=1S/C16H15N3O2/c1-12(20)19-14-6-4-13(5-7-14)9-15(10-17)18-11-16-3-2-8-21-16/h2-8H,9,11H2,1H3,(H,19,20)/b18-15-
InChIKeyGMPVWYOYDKUOQL-SDXDJHTJSA-N
XLogP2.95
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-(furan-2-ylmethyl)ethanimidoyl cyanide?
The IUPAC name of 2-(4-acetamidophenyl)-N-(furan-2-ylmethyl)ethanimidoyl cyanide (CID 7308521) is 2-(4-acetamidophenyl)-N-(furan-2-ylmethyl)ethanimidoyl cyanide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-(furan-2-ylmethyl)ethanimidoyl cyanide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-(furan-2-ylmethyl)ethanimidoyl cyanide is CC(=O)Nc1ccc(C/C(C#N)=N/Cc2ccco2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-(furan-2-ylmethyl)ethanimidoyl cyanide?
The InChIKey is GMPVWYOYDKUOQL-SDXDJHTJSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-12(20)19-14-6-4-13(5-7-14)9-15(10-17)18-11-16-3-2-8-21-16/h2-8H,9,11H2,1H3,(H,19,20)/b18-15-.
What are the key properties of 2-(4-acetamidophenyl)-N-(furan-2-ylmethyl)ethanimidoyl cyanide?
2-(4-acetamidophenyl)-N-(furan-2-ylmethyl)ethanimidoyl cyanide has a molecular weight of 281.31 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-(furan-2-ylmethyl)ethanimidoyl cyanide is sourced from PubChem (CID 7308521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).