2-chloro-N'-hydroxy-4-[methyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide

C10H11ClF3N3O — CID 55152071

IUPAC2-chloro-N'-hydroxy-4-[methyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
SMILESCN(CC(F)(F)F)c1ccc(/C(N)=N/O)c(Cl)c1
InChIInChI=1S/C10H11ClF3N3O/c1-17(5-10(12,13)14)6-2-3-7(8(11)4-6)9(15)16-18/h2-4,18H,5H2,1H3,(H2,15,16)
InChIKeyGVGYMAODKOUIIT-UHFFFAOYSA-N
MW281.67 g/mol
LogP2.43
Rot. Bonds3

About 2-chloro-N'-hydroxy-4-[methyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide

2-chloro-N'-hydroxy-4-[methyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide (PubChem CID 55152071) has the molecular formula C10H11ClF3N3O and a molecular weight of 281.67 g/mol. Its IUPAC name is 2-chloro-N'-hydroxy-4-[methyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-N'-hydroxy-4-[methyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
PubChem CID55152071
Molecular FormulaC10H11ClF3N3O
Molecular Weight281.67 g/mol
Exact Mass281.05
IUPAC Name2-chloro-N'-hydroxy-4-[methyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
SMILESCN(CC(F)(F)F)c1ccc(/C(N)=N/O)c(Cl)c1
InChIInChI=1S/C10H11ClF3N3O/c1-17(5-10(12,13)14)6-2-3-7(8(11)4-6)9(15)16-18/h2-4,18H,5H2,1H3,(H2,15,16)
InChIKeyGVGYMAODKOUIIT-UHFFFAOYSA-N
XLogP2.43
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 52.43
H-Bond Donors ≤ 52
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-chloro-N'-hydroxy-4-[methyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide?
The IUPAC name of 2-chloro-N'-hydroxy-4-[methyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide (CID 55152071) is 2-chloro-N'-hydroxy-4-[methyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide.
What is the SMILES notation for 2-chloro-N'-hydroxy-4-[methyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide?
The canonical SMILES for 2-chloro-N'-hydroxy-4-[methyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide is CN(CC(F)(F)F)c1ccc(/C(N)=N/O)c(Cl)c1.
What is the InChIKey of 2-chloro-N'-hydroxy-4-[methyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide?
The InChIKey is GVGYMAODKOUIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3O/c1-17(5-10(12,13)14)6-2-3-7(8(11)4-6)9(15)16-18/h2-4,18H,5H2,1H3,(H2,15,16).
What are the key properties of 2-chloro-N'-hydroxy-4-[methyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide?
2-chloro-N'-hydroxy-4-[methyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide has a molecular weight of 281.67 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-hydroxy-4-[methyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide is sourced from PubChem (CID 55152071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).