2-(4-fluorophenyl)-N'-hydroxy-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzenecarboximidamide

C20H14F4N2O2 — CID 71492929

IUPAC2-(4-fluorophenyl)-N'-hydroxy-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzenecarboximidamide
SMILESN/C(=N\O)c1cc(C(F)(F)F)cc(-c2ccc(O)cc2)c1-c1ccc(F)cc1
InChIInChI=1S/C20H14F4N2O2/c21-14-5-1-12(2-6-14)18-16(11-3-7-15(27)8-4-11)9-13(20(22,23)24)10-17(18)19(25)26-28/h1-10,27-28H,(H2,25,26)
InChIKeyZREBXZSNQPMKEB-UHFFFAOYSA-N
MW390.34 g/mol
LogP4.98
Rot. Bonds3

About 2-(4-fluorophenyl)-N'-hydroxy-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzenecarboximidamide

2-(4-fluorophenyl)-N'-hydroxy-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzenecarboximidamide (PubChem CID 71492929) has the molecular formula C20H14F4N2O2 and a molecular weight of 390.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N'-hydroxy-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N'-hydroxy-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzenecarboximidamide
PubChem CID71492929
Molecular FormulaC20H14F4N2O2
Molecular Weight390.34 g/mol
Exact Mass390.10
IUPAC Name2-(4-fluorophenyl)-N'-hydroxy-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzenecarboximidamide
SMILESN/C(=N\O)c1cc(C(F)(F)F)cc(-c2ccc(O)cc2)c1-c1ccc(F)cc1
InChIInChI=1S/C20H14F4N2O2/c21-14-5-1-12(2-6-14)18-16(11-3-7-15(27)8-4-11)9-13(20(22,23)24)10-17(18)19(25)26-28/h1-10,27-28H,(H2,25,26)
InChIKeyZREBXZSNQPMKEB-UHFFFAOYSA-N
XLogP4.98
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.34
LogP ≤ 54.98
H-Bond Donors ≤ 53
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': 'oxime_1', '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 2-(4-fluorophenyl)-N'-hydroxy-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 2-(4-fluorophenyl)-N'-hydroxy-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzenecarboximidamide (CID 71492929) is 2-(4-fluorophenyl)-N'-hydroxy-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N'-hydroxy-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 2-(4-fluorophenyl)-N'-hydroxy-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzenecarboximidamide is N/C(=N\O)c1cc(C(F)(F)F)cc(-c2ccc(O)cc2)c1-c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N'-hydroxy-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is ZREBXZSNQPMKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N2O2/c21-14-5-1-12(2-6-14)18-16(11-3-7-15(27)8-4-11)9-13(20(22,23)24)10-17(18)19(25)26-28/h1-10,27-28H,(H2,25,26).
What are the key properties of 2-(4-fluorophenyl)-N'-hydroxy-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzenecarboximidamide?
2-(4-fluorophenyl)-N'-hydroxy-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 390.34 g/mol, XLogP of 4.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N'-hydroxy-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 71492929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).