N'-(3,4-difluorophenyl)-N-hydroxy-1-benzofuran-5-carboximidamide

C15H10F2N2O2 — CID 156653461

IUPACN'-(3,4-difluorophenyl)-N-hydroxy-1-benzofuran-5-carboximidamide
SMILESON/C(=N\c1ccc(F)c(F)c1)c1ccc2occc2c1
InChIInChI=1S/C15H10F2N2O2/c16-12-3-2-11(8-13(12)17)18-15(19-20)10-1-4-14-9(7-10)5-6-21-14/h1-8,20H,(H,18,19)
InChIKeyCPOQITRTBPEMKN-UHFFFAOYSA-N
MW288.25 g/mol
LogP3.77
Rot. Bonds2

About N'-(3,4-difluorophenyl)-N-hydroxy-1-benzofuran-5-carboximidamide

N'-(3,4-difluorophenyl)-N-hydroxy-1-benzofuran-5-carboximidamide (PubChem CID 156653461) has the molecular formula C15H10F2N2O2 and a molecular weight of 288.25 g/mol. Its IUPAC name is N'-(3,4-difluorophenyl)-N-hydroxy-1-benzofuran-5-carboximidamide.

Molecular Properties

Compound NameN'-(3,4-difluorophenyl)-N-hydroxy-1-benzofuran-5-carboximidamide
PubChem CID156653461
Molecular FormulaC15H10F2N2O2
Molecular Weight288.25 g/mol
Exact Mass288.07
IUPAC NameN'-(3,4-difluorophenyl)-N-hydroxy-1-benzofuran-5-carboximidamide
SMILESON/C(=N\c1ccc(F)c(F)c1)c1ccc2occc2c1
InChIInChI=1S/C15H10F2N2O2/c16-12-3-2-11(8-13(12)17)18-15(19-20)10-1-4-14-9(7-10)5-6-21-14/h1-8,20H,(H,18,19)
InChIKeyCPOQITRTBPEMKN-UHFFFAOYSA-N
XLogP3.77
TPSA57.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 53.77
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'-(3,4-difluorophenyl)-N-hydroxy-1-benzofuran-5-carboximidamide?
The IUPAC name of N'-(3,4-difluorophenyl)-N-hydroxy-1-benzofuran-5-carboximidamide (CID 156653461) is N'-(3,4-difluorophenyl)-N-hydroxy-1-benzofuran-5-carboximidamide.
What is the SMILES notation for N'-(3,4-difluorophenyl)-N-hydroxy-1-benzofuran-5-carboximidamide?
The canonical SMILES for N'-(3,4-difluorophenyl)-N-hydroxy-1-benzofuran-5-carboximidamide is ON/C(=N\c1ccc(F)c(F)c1)c1ccc2occc2c1.
What is the InChIKey of N'-(3,4-difluorophenyl)-N-hydroxy-1-benzofuran-5-carboximidamide?
The InChIKey is CPOQITRTBPEMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O2/c16-12-3-2-11(8-13(12)17)18-15(19-20)10-1-4-14-9(7-10)5-6-21-14/h1-8,20H,(H,18,19).
What are the key properties of N'-(3,4-difluorophenyl)-N-hydroxy-1-benzofuran-5-carboximidamide?
N'-(3,4-difluorophenyl)-N-hydroxy-1-benzofuran-5-carboximidamide has a molecular weight of 288.25 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-difluorophenyl)-N-hydroxy-1-benzofuran-5-carboximidamide is sourced from PubChem (CID 156653461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).