N'-(3-acetylphenyl)-N-hydroxy-1-benzofuran-5-carboximidamide

C17H14N2O3 — CID 156653457

IUPACN'-(3-acetylphenyl)-N-hydroxy-1-benzofuran-5-carboximidamide
SMILESCC(=O)c1cccc(/N=C(\NO)c2ccc3occc3c2)c1
InChIInChI=1S/C17H14N2O3/c1-11(20)12-3-2-4-15(10-12)18-17(19-21)14-5-6-16-13(9-14)7-8-22-16/h2-10,21H,1H3,(H,18,19)
InChIKeyQVHGWDWUKCQJKI-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.69
Rot. Bonds3

About N'-(3-acetylphenyl)-N-hydroxy-1-benzofuran-5-carboximidamide

N'-(3-acetylphenyl)-N-hydroxy-1-benzofuran-5-carboximidamide (PubChem CID 156653457) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is N'-(3-acetylphenyl)-N-hydroxy-1-benzofuran-5-carboximidamide.

Molecular Properties

Compound NameN'-(3-acetylphenyl)-N-hydroxy-1-benzofuran-5-carboximidamide
PubChem CID156653457
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC NameN'-(3-acetylphenyl)-N-hydroxy-1-benzofuran-5-carboximidamide
SMILESCC(=O)c1cccc(/N=C(\NO)c2ccc3occc3c2)c1
InChIInChI=1S/C17H14N2O3/c1-11(20)12-3-2-4-15(10-12)18-17(19-21)14-5-6-16-13(9-14)7-8-22-16/h2-10,21H,1H3,(H,18,19)
InChIKeyQVHGWDWUKCQJKI-UHFFFAOYSA-N
XLogP3.69
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3-acetylphenyl)-N-hydroxy-1-benzofuran-5-carboximidamide?
The IUPAC name of N'-(3-acetylphenyl)-N-hydroxy-1-benzofuran-5-carboximidamide (CID 156653457) is N'-(3-acetylphenyl)-N-hydroxy-1-benzofuran-5-carboximidamide.
What is the SMILES notation for N'-(3-acetylphenyl)-N-hydroxy-1-benzofuran-5-carboximidamide?
The canonical SMILES for N'-(3-acetylphenyl)-N-hydroxy-1-benzofuran-5-carboximidamide is CC(=O)c1cccc(/N=C(\NO)c2ccc3occc3c2)c1.
What is the InChIKey of N'-(3-acetylphenyl)-N-hydroxy-1-benzofuran-5-carboximidamide?
The InChIKey is QVHGWDWUKCQJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-11(20)12-3-2-4-15(10-12)18-17(19-21)14-5-6-16-13(9-14)7-8-22-16/h2-10,21H,1H3,(H,18,19).
What are the key properties of N'-(3-acetylphenyl)-N-hydroxy-1-benzofuran-5-carboximidamide?
N'-(3-acetylphenyl)-N-hydroxy-1-benzofuran-5-carboximidamide has a molecular weight of 294.31 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-acetylphenyl)-N-hydroxy-1-benzofuran-5-carboximidamide is sourced from PubChem (CID 156653457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).