N-hydroxy-N'-phenyl-2-(trifluoromethyl)benzenecarboximidamide

C14H11F3N2O — CID 162537410

IUPACN-hydroxy-N'-phenyl-2-(trifluoromethyl)benzenecarboximidamide
SMILESON/C(=N\c1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H11F3N2O/c15-14(16,17)12-9-5-4-8-11(12)13(19-20)18-10-6-2-1-3-7-10/h1-9,20H,(H,18,19)
InChIKeyVWNGWXDPSPWQMN-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.76
Rot. Bonds2

About N-hydroxy-N'-phenyl-2-(trifluoromethyl)benzenecarboximidamide

N-hydroxy-N'-phenyl-2-(trifluoromethyl)benzenecarboximidamide (PubChem CID 162537410) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is N-hydroxy-N'-phenyl-2-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN-hydroxy-N'-phenyl-2-(trifluoromethyl)benzenecarboximidamide
PubChem CID162537410
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC NameN-hydroxy-N'-phenyl-2-(trifluoromethyl)benzenecarboximidamide
SMILESON/C(=N\c1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H11F3N2O/c15-14(16,17)12-9-5-4-8-11(12)13(19-20)18-10-6-2-1-3-7-10/h1-9,20H,(H,18,19)
InChIKeyVWNGWXDPSPWQMN-UHFFFAOYSA-N
XLogP3.76
TPSA44.62 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 ≤ 53.76
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-N'-phenyl-2-(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

Related Compounds

(1E)-N-hydroxy-2-(trifluoromethyl)benzenecarboximidoyl chloride
CID 51503951
N'-(4-methoxyphenyl)-2-(trifluoromethyl)benzenecarboximidamide
CID 135071649
2,3-difluoro-N-hydroxy-N'-pyridin-4-ylbenzenecarboximidamide
CID 15255285
2-hydroxyimino-1-[2-(trifluoromethyl)phenyl]propan-1-one
CID 159696978
2-[2-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 117266986
N-methyl-2-(trifluoromethyl)benzamide
CID 4216112
methyl 2-(trifluoromethyl)benzoate
CID 2775578
N'-(4-bromophenyl)-2-fluoro-N-hydroxy-4-(trifluoromethyl)benzenecarboximidamide
CID 22347130
N-amino-N'-cyclohexyl-2-(trifluoromethyl)benzenecarboximidamide
CID 61363510
N-amino-3-bromo-2-fluoro-N'-phenylbenzenecarboximidamide
CID 107957920
potassium 2-(trifluoromethyl)benzoate
CID 162538888
[4-[[2-(trifluoromethyl)benzoyl]amino]phenyl]carbamic acid
CID 18543447

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-phenyl-2-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of N-hydroxy-N'-phenyl-2-(trifluoromethyl)benzenecarboximidamide (CID 162537410) is N-hydroxy-N'-phenyl-2-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for N-hydroxy-N'-phenyl-2-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for N-hydroxy-N'-phenyl-2-(trifluoromethyl)benzenecarboximidamide is ON/C(=N\c1ccccc1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-hydroxy-N'-phenyl-2-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is VWNGWXDPSPWQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c15-14(16,17)12-9-5-4-8-11(12)13(19-20)18-10-6-2-1-3-7-10/h1-9,20H,(H,18,19).
What are the key properties of N-hydroxy-N'-phenyl-2-(trifluoromethyl)benzenecarboximidamide?
N-hydroxy-N'-phenyl-2-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 280.25 g/mol, XLogP of 3.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-phenyl-2-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 162537410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).