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

C21H16N2O3 — CID 156653479

IUPACN-hydroxy-N'-(3-phenoxyphenyl)-1-benzofuran-5-carboximidamide
SMILESON/C(=N\c1cccc(Oc2ccccc2)c1)c1ccc2occc2c1
InChIInChI=1S/C21H16N2O3/c24-23-21(16-9-10-20-15(13-16)11-12-25-20)22-17-5-4-8-19(14-17)26-18-6-2-1-3-7-18/h1-14,24H,(H,22,23)
InChIKeyKLRPZDBCEQACIG-UHFFFAOYSA-N
MW344.37 g/mol
LogP5.28
Rot. Bonds4

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

N-hydroxy-N'-(3-phenoxyphenyl)-1-benzofuran-5-carboximidamide (PubChem CID 156653479) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-hydroxy-N'-(3-phenoxyphenyl)-1-benzofuran-5-carboximidamide.

Molecular Properties

Compound NameN-hydroxy-N'-(3-phenoxyphenyl)-1-benzofuran-5-carboximidamide
PubChem CID156653479
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC NameN-hydroxy-N'-(3-phenoxyphenyl)-1-benzofuran-5-carboximidamide
SMILESON/C(=N\c1cccc(Oc2ccccc2)c1)c1ccc2occc2c1
InChIInChI=1S/C21H16N2O3/c24-23-21(16-9-10-20-15(13-16)11-12-25-20)22-17-5-4-8-19(14-17)26-18-6-2-1-3-7-18/h1-14,24H,(H,22,23)
InChIKeyKLRPZDBCEQACIG-UHFFFAOYSA-N
XLogP5.28
TPSA66.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.37
LogP ≤ 55.28
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-hydroxy-N'-(3-phenoxyphenyl)-1-benzofuran-5-carboximidamide?
The IUPAC name of N-hydroxy-N'-(3-phenoxyphenyl)-1-benzofuran-5-carboximidamide (CID 156653479) is N-hydroxy-N'-(3-phenoxyphenyl)-1-benzofuran-5-carboximidamide.
What is the SMILES notation for N-hydroxy-N'-(3-phenoxyphenyl)-1-benzofuran-5-carboximidamide?
The canonical SMILES for N-hydroxy-N'-(3-phenoxyphenyl)-1-benzofuran-5-carboximidamide is ON/C(=N\c1cccc(Oc2ccccc2)c1)c1ccc2occc2c1.
What is the InChIKey of N-hydroxy-N'-(3-phenoxyphenyl)-1-benzofuran-5-carboximidamide?
The InChIKey is KLRPZDBCEQACIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3/c24-23-21(16-9-10-20-15(13-16)11-12-25-20)22-17-5-4-8-19(14-17)26-18-6-2-1-3-7-18/h1-14,24H,(H,22,23).
What are the key properties of N-hydroxy-N'-(3-phenoxyphenyl)-1-benzofuran-5-carboximidamide?
N-hydroxy-N'-(3-phenoxyphenyl)-1-benzofuran-5-carboximidamide has a molecular weight of 344.37 g/mol, XLogP of 5.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-(3-phenoxyphenyl)-1-benzofuran-5-carboximidamide is sourced from PubChem (CID 156653479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).