N'-hydroxy-2-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide

C11H14F3N3O2 — CID 54879441

IUPACN'-hydroxy-2-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide
SMILESCN(CCO)c1ccc(C(F)(F)F)cc1/C(N)=N/O
InChIInChI=1S/C11H14F3N3O2/c1-17(4-5-18)9-3-2-7(11(12,13)14)6-8(9)10(15)16-19/h2-3,6,18-19H,4-5H2,1H3,(H2,15,16)
InChIKeyVQCJSWMHMMHLEH-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.23
Rot. Bonds4

About N'-hydroxy-2-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide

N'-hydroxy-2-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide (PubChem CID 54879441) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is N'-hydroxy-2-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide
PubChem CID54879441
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC NameN'-hydroxy-2-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide
SMILESCN(CCO)c1ccc(C(F)(F)F)cc1/C(N)=N/O
InChIInChI=1S/C11H14F3N3O2/c1-17(4-5-18)9-3-2-7(11(12,13)14)6-8(9)10(15)16-19/h2-3,6,18-19H,4-5H2,1H3,(H2,15,16)
InChIKeyVQCJSWMHMMHLEH-UHFFFAOYSA-N
XLogP1.23
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Related Compounds

N'-hydroxy-2-[methyl(pentyl)amino]-5-(trifluoromethyl)benzenecarboximidamide
CID 43294939
N'-hydroxy-2-[methyl(pentan-2-yl)amino]-5-(trifluoromethyl)benzenecarboximidamide
CID 43572150
N'-hydroxy-2-[methyl(thiolan-3-yl)amino]-5-(trifluoromethyl)benzenecarboximidamide
CID 43296689
2-[cyclopropylmethyl(ethyl)amino]-N'-hydroxy-5-(trifluoromethyl)benzenecarboximidamide
CID 76996444
4-chloro-N'-hydroxy-2-[2-hydroxyethyl(methyl)amino]benzenecarboximidamide
CID 76984760
3-[2-carbamoyl-N-methyl-4-(trifluoromethyl)anilino]propanoic acid
CID 60986639
2-[3-(dimethylamino)propyl-methylamino]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77017330
2-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929934
2-[methyl(2-propan-2-yloxyethyl)amino]-5-(trifluoromethyl)benzenecarbothioamide
CID 81036011
N'-hydroxy-5-methyl-2-[methyl(2-methylsulfanylethyl)amino]benzenecarboximidamide
CID 114017229
2-chloro-N'-hydroxy-4-[2-hydroxyethyl(methyl)amino]benzenecarboximidamide
CID 76981406
2-[N-methyl-3-(trifluoromethyl)anilino]ethanol
CID 117029243

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide (CID 54879441) is N'-hydroxy-2-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide is CN(CCO)c1ccc(C(F)(F)F)cc1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is VQCJSWMHMMHLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-17(4-5-18)9-3-2-7(11(12,13)14)6-8(9)10(15)16-19/h2-3,6,18-19H,4-5H2,1H3,(H2,15,16).
What are the key properties of N'-hydroxy-2-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide?
N'-hydroxy-2-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 277.25 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 54879441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).