N'-hydroxy-4-phenyl-3-(trifluoromethyl)benzenecarboximidamide

C14H11F3N2O — CID 87478935

IUPACN'-hydroxy-4-phenyl-3-(trifluoromethyl)benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(-c2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C14H11F3N2O/c15-14(16,17)12-8-10(13(18)19-20)6-7-11(12)9-4-2-1-3-5-9/h1-8,20H,(H2,18,19)
InChIKeyWEEVRYYGJSLYMO-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.47
Rot. Bonds2

About N'-hydroxy-4-phenyl-3-(trifluoromethyl)benzenecarboximidamide

N'-hydroxy-4-phenyl-3-(trifluoromethyl)benzenecarboximidamide (PubChem CID 87478935) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is N'-hydroxy-4-phenyl-3-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-phenyl-3-(trifluoromethyl)benzenecarboximidamide
PubChem CID87478935
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC NameN'-hydroxy-4-phenyl-3-(trifluoromethyl)benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(-c2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C14H11F3N2O/c15-14(16,17)12-8-10(13(18)19-20)6-7-11(12)9-4-2-1-3-5-9/h1-8,20H,(H2,18,19)
InChIKeyWEEVRYYGJSLYMO-UHFFFAOYSA-N
XLogP3.47
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

Analyze N'-hydroxy-4-phenyl-3-(trifluoromethyl)benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-phenyl-3-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-phenyl-3-(trifluoromethyl)benzenecarboximidamide (CID 87478935) is N'-hydroxy-4-phenyl-3-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-phenyl-3-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-phenyl-3-(trifluoromethyl)benzenecarboximidamide is N/C(=N\O)c1ccc(-c2ccccc2)c(C(F)(F)F)c1.
What is the InChIKey of N'-hydroxy-4-phenyl-3-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is WEEVRYYGJSLYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c15-14(16,17)12-8-10(13(18)19-20)6-7-11(12)9-4-2-1-3-5-9/h1-8,20H,(H2,18,19).
What are the key properties of N'-hydroxy-4-phenyl-3-(trifluoromethyl)benzenecarboximidamide?
N'-hydroxy-4-phenyl-3-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 280.25 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-phenyl-3-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 87478935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).