N-hydroxy-N'-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-carboximidamide

C16H11F3N2O2 — CID 156653496

IUPACN-hydroxy-N'-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-carboximidamide
SMILESON/C(=N\c1cccc(C(F)(F)F)c1)c1ccc2occc2c1
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)12-2-1-3-13(9-12)20-15(21-22)11-4-5-14-10(8-11)6-7-23-14/h1-9,22H,(H,20,21)
InChIKeyKTYZUCNJZQJWLQ-UHFFFAOYSA-N
MW320.27 g/mol
LogP4.51
Rot. Bonds2

About N-hydroxy-N'-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-carboximidamide

N-hydroxy-N'-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-carboximidamide (PubChem CID 156653496) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is N-hydroxy-N'-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-carboximidamide.

Molecular Properties

Compound NameN-hydroxy-N'-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-carboximidamide
PubChem CID156653496
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC NameN-hydroxy-N'-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-carboximidamide
SMILESON/C(=N\c1cccc(C(F)(F)F)c1)c1ccc2occc2c1
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)12-2-1-3-13(9-12)20-15(21-22)11-4-5-14-10(8-11)6-7-23-14/h1-9,22H,(H,20,21)
InChIKeyKTYZUCNJZQJWLQ-UHFFFAOYSA-N
XLogP4.51
TPSA57.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 54.51
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-hydroxy-N'-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-carboximidamide?
The IUPAC name of N-hydroxy-N'-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-carboximidamide (CID 156653496) is N-hydroxy-N'-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-carboximidamide.
What is the SMILES notation for N-hydroxy-N'-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-carboximidamide?
The canonical SMILES for N-hydroxy-N'-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-carboximidamide is ON/C(=N\c1cccc(C(F)(F)F)c1)c1ccc2occc2c1.
What is the InChIKey of N-hydroxy-N'-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-carboximidamide?
The InChIKey is KTYZUCNJZQJWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c17-16(18,19)12-2-1-3-13(9-12)20-15(21-22)11-4-5-14-10(8-11)6-7-23-14/h1-9,22H,(H,20,21).
What are the key properties of N-hydroxy-N'-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-carboximidamide?
N-hydroxy-N'-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-carboximidamide has a molecular weight of 320.27 g/mol, XLogP of 4.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-carboximidamide is sourced from PubChem (CID 156653496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).