N'-(3-fluorophenyl)-N-hydroxy-2-phenyl-1-benzofuran-5-carboximidamide

C21H15FN2O2 — CID 156653499

IUPACN'-(3-fluorophenyl)-N-hydroxy-2-phenyl-1-benzofuran-5-carboximidamide
SMILESON/C(=N\c1cccc(F)c1)c1ccc2oc(-c3ccccc3)cc2c1
InChIInChI=1S/C21H15FN2O2/c22-17-7-4-8-18(13-17)23-21(24-25)15-9-10-19-16(11-15)12-20(26-19)14-5-2-1-3-6-14/h1-13,25H,(H,23,24)
InChIKeyAXKBOGJJJMJYIU-UHFFFAOYSA-N
MW346.36 g/mol
LogP5.30
Rot. Bonds3

About N'-(3-fluorophenyl)-N-hydroxy-2-phenyl-1-benzofuran-5-carboximidamide

N'-(3-fluorophenyl)-N-hydroxy-2-phenyl-1-benzofuran-5-carboximidamide (PubChem CID 156653499) has the molecular formula C21H15FN2O2 and a molecular weight of 346.36 g/mol. Its IUPAC name is N'-(3-fluorophenyl)-N-hydroxy-2-phenyl-1-benzofuran-5-carboximidamide.

Molecular Properties

Compound NameN'-(3-fluorophenyl)-N-hydroxy-2-phenyl-1-benzofuran-5-carboximidamide
PubChem CID156653499
Molecular FormulaC21H15FN2O2
Molecular Weight346.36 g/mol
Exact Mass346.11
IUPAC NameN'-(3-fluorophenyl)-N-hydroxy-2-phenyl-1-benzofuran-5-carboximidamide
SMILESON/C(=N\c1cccc(F)c1)c1ccc2oc(-c3ccccc3)cc2c1
InChIInChI=1S/C21H15FN2O2/c22-17-7-4-8-18(13-17)23-21(24-25)15-9-10-19-16(11-15)12-20(26-19)14-5-2-1-3-6-14/h1-13,25H,(H,23,24)
InChIKeyAXKBOGJJJMJYIU-UHFFFAOYSA-N
XLogP5.30
TPSA57.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.36
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-fluorophenyl)-N-hydroxy-2-phenyl-1-benzofuran-5-carboximidamide?
The IUPAC name of N'-(3-fluorophenyl)-N-hydroxy-2-phenyl-1-benzofuran-5-carboximidamide (CID 156653499) is N'-(3-fluorophenyl)-N-hydroxy-2-phenyl-1-benzofuran-5-carboximidamide.
What is the SMILES notation for N'-(3-fluorophenyl)-N-hydroxy-2-phenyl-1-benzofuran-5-carboximidamide?
The canonical SMILES for N'-(3-fluorophenyl)-N-hydroxy-2-phenyl-1-benzofuran-5-carboximidamide is ON/C(=N\c1cccc(F)c1)c1ccc2oc(-c3ccccc3)cc2c1.
What is the InChIKey of N'-(3-fluorophenyl)-N-hydroxy-2-phenyl-1-benzofuran-5-carboximidamide?
The InChIKey is AXKBOGJJJMJYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O2/c22-17-7-4-8-18(13-17)23-21(24-25)15-9-10-19-16(11-15)12-20(26-19)14-5-2-1-3-6-14/h1-13,25H,(H,23,24).
What are the key properties of N'-(3-fluorophenyl)-N-hydroxy-2-phenyl-1-benzofuran-5-carboximidamide?
N'-(3-fluorophenyl)-N-hydroxy-2-phenyl-1-benzofuran-5-carboximidamide has a molecular weight of 346.36 g/mol, XLogP of 5.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluorophenyl)-N-hydroxy-2-phenyl-1-benzofuran-5-carboximidamide is sourced from PubChem (CID 156653499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).