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

C14H10F3IN2O2 — CID 154079256

IUPACN'-hydroxy-3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzenecarboximidamide
SMILESN/C(=N/O)c1cc(C(F)(F)F)cc(-c2ccc(O)cc2)c1I
InChIInChI=1S/C14H10F3IN2O2/c15-14(16,17)8-5-10(7-1-3-9(21)4-2-7)12(18)11(6-8)13(19)20-22/h1-6,21-22H,(H2,19,20)
InChIKeyQOHIDKGLLHPOQB-UHFFFAOYSA-N
MW422.14 g/mol
LogP3.78
Rot. Bonds2

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

N'-hydroxy-3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzenecarboximidamide (PubChem CID 154079256) has the molecular formula C14H10F3IN2O2 and a molecular weight of 422.14 g/mol. Its IUPAC name is N'-hydroxy-3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzenecarboximidamide
PubChem CID154079256
Molecular FormulaC14H10F3IN2O2
Molecular Weight422.14 g/mol
Exact Mass421.97
IUPAC NameN'-hydroxy-3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzenecarboximidamide
SMILESN/C(=N/O)c1cc(C(F)(F)F)cc(-c2ccc(O)cc2)c1I
InChIInChI=1S/C14H10F3IN2O2/c15-14(16,17)8-5-10(7-1-3-9(21)4-2-7)12(18)11(6-8)13(19)20-22/h1-6,21-22H,(H2,19,20)
InChIKeyQOHIDKGLLHPOQB-UHFFFAOYSA-N
XLogP3.78
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.14
LogP ≤ 53.78
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': 'iodine', '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 N'-hydroxy-3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzenecarboximidamide (CID 154079256) is N'-hydroxy-3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzenecarboximidamide is N/C(=N/O)c1cc(C(F)(F)F)cc(-c2ccc(O)cc2)c1I.
What is the InChIKey of N'-hydroxy-3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is QOHIDKGLLHPOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3IN2O2/c15-14(16,17)8-5-10(7-1-3-9(21)4-2-7)12(18)11(6-8)13(19)20-22/h1-6,21-22H,(H2,19,20).
What are the key properties of N'-hydroxy-3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzenecarboximidamide?
N'-hydroxy-3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 422.14 g/mol, XLogP of 3.78, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 154079256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).