N'-hydroxy-4-(3-methylmorpholin-4-yl)-2-(trifluoromethyl)benzenecarboximidamide

C13H16F3N3O2 — CID 43542167

IUPACN'-hydroxy-4-(3-methylmorpholin-4-yl)-2-(trifluoromethyl)benzenecarboximidamide
SMILESCC1COCCN1c1ccc(/C(N)=N/O)c(C(F)(F)F)c1
InChIInChI=1S/C13H16F3N3O2/c1-8-7-21-5-4-19(8)9-2-3-10(12(17)18-20)11(6-9)13(14,15)16/h2-3,6,8,20H,4-5,7H2,1H3,(H2,17,18)
InChIKeyXUXGXKZHNFVCHV-UHFFFAOYSA-N
MW303.28 g/mol
LogP2.03
Rot. Bonds2

About N'-hydroxy-4-(3-methylmorpholin-4-yl)-2-(trifluoromethyl)benzenecarboximidamide

N'-hydroxy-4-(3-methylmorpholin-4-yl)-2-(trifluoromethyl)benzenecarboximidamide (PubChem CID 43542167) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is N'-hydroxy-4-(3-methylmorpholin-4-yl)-2-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(3-methylmorpholin-4-yl)-2-(trifluoromethyl)benzenecarboximidamide
PubChem CID43542167
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC NameN'-hydroxy-4-(3-methylmorpholin-4-yl)-2-(trifluoromethyl)benzenecarboximidamide
SMILESCC1COCCN1c1ccc(/C(N)=N/O)c(C(F)(F)F)c1
InChIInChI=1S/C13H16F3N3O2/c1-8-7-21-5-4-19(8)9-2-3-10(12(17)18-20)11(6-9)13(14,15)16/h2-3,6,8,20H,4-5,7H2,1H3,(H2,17,18)
InChIKeyXUXGXKZHNFVCHV-UHFFFAOYSA-N
XLogP2.03
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.03
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(3-methylmorpholin-4-yl)-2-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-(3-methylmorpholin-4-yl)-2-(trifluoromethyl)benzenecarboximidamide (CID 43542167) is N'-hydroxy-4-(3-methylmorpholin-4-yl)-2-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-(3-methylmorpholin-4-yl)-2-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-(3-methylmorpholin-4-yl)-2-(trifluoromethyl)benzenecarboximidamide is CC1COCCN1c1ccc(/C(N)=N/O)c(C(F)(F)F)c1.
What is the InChIKey of N'-hydroxy-4-(3-methylmorpholin-4-yl)-2-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is XUXGXKZHNFVCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c1-8-7-21-5-4-19(8)9-2-3-10(12(17)18-20)11(6-9)13(14,15)16/h2-3,6,8,20H,4-5,7H2,1H3,(H2,17,18).
What are the key properties of N'-hydroxy-4-(3-methylmorpholin-4-yl)-2-(trifluoromethyl)benzenecarboximidamide?
N'-hydroxy-4-(3-methylmorpholin-4-yl)-2-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 303.28 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(3-methylmorpholin-4-yl)-2-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 43542167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).