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

C12H15F3N2O3 — CID 115468061

IUPACN'-hydroxy-4-(3-methoxypropoxy)-3-(trifluoromethyl)benzenecarboximidamide
SMILESCOCCCOc1ccc(/C(N)=N/O)cc1C(F)(F)F
InChIInChI=1S/C12H15F3N2O3/c1-19-5-2-6-20-10-4-3-8(11(16)17-18)7-9(10)12(13,14)15/h3-4,7,18H,2,5-6H2,1H3,(H2,16,17)
InChIKeyZOLRSEZRPLWXHR-UHFFFAOYSA-N
MW292.26 g/mol
LogP2.22
Rot. Bonds6

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

N'-hydroxy-4-(3-methoxypropoxy)-3-(trifluoromethyl)benzenecarboximidamide (PubChem CID 115468061) has the molecular formula C12H15F3N2O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is N'-hydroxy-4-(3-methoxypropoxy)-3-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(3-methoxypropoxy)-3-(trifluoromethyl)benzenecarboximidamide
PubChem CID115468061
Molecular FormulaC12H15F3N2O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC NameN'-hydroxy-4-(3-methoxypropoxy)-3-(trifluoromethyl)benzenecarboximidamide
SMILESCOCCCOc1ccc(/C(N)=N/O)cc1C(F)(F)F
InChIInChI=1S/C12H15F3N2O3/c1-19-5-2-6-20-10-4-3-8(11(16)17-18)7-9(10)12(13,14)15/h3-4,7,18H,2,5-6H2,1H3,(H2,16,17)
InChIKeyZOLRSEZRPLWXHR-UHFFFAOYSA-N
XLogP2.22
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

4-(3-methoxypropoxy)-3-(trifluoromethyl)benzoic acid
CID 55206438
4-but-3-enoxy-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
CID 166763610
N'-hydroxy-4-(2-methylpropoxy)-3-(trifluoromethyl)benzenecarboximidamide
CID 115468067
N'-hydroxy-3-methoxy-4-(2-methoxyethoxy)benzenecarboximidamide
CID 24691682
3-chloro-N'-hydroxy-4-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide
CID 103177820
4-butan-2-yloxy-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
CID 115468073
N'-hydroxy-4-(3-methoxypropoxy)benzenecarboximidamide
CID 76883900
N'-hydroxy-3-methoxy-4-(2,2,2-trifluoroethoxy)benzenecarboximidamide
CID 24695782
3-bromo-N'-hydroxy-4-(2-methoxyethoxy)benzenecarboximidamide
CID 82800243
4-(3-ethoxypropoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107666346
4-[2-(2-methoxyethoxy)ethoxy]-3-(trifluoromethyl)benzenecarboximidamide
CID 115468146
4-(bromomethyl)-1-(3-methoxypropoxy)-2-(trifluoromethyl)benzene
CID 63320546

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(3-methoxypropoxy)-3-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-(3-methoxypropoxy)-3-(trifluoromethyl)benzenecarboximidamide (CID 115468061) is N'-hydroxy-4-(3-methoxypropoxy)-3-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-(3-methoxypropoxy)-3-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-(3-methoxypropoxy)-3-(trifluoromethyl)benzenecarboximidamide is COCCCOc1ccc(/C(N)=N/O)cc1C(F)(F)F.
What is the InChIKey of N'-hydroxy-4-(3-methoxypropoxy)-3-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is ZOLRSEZRPLWXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3/c1-19-5-2-6-20-10-4-3-8(11(16)17-18)7-9(10)12(13,14)15/h3-4,7,18H,2,5-6H2,1H3,(H2,16,17).
What are the key properties of N'-hydroxy-4-(3-methoxypropoxy)-3-(trifluoromethyl)benzenecarboximidamide?
N'-hydroxy-4-(3-methoxypropoxy)-3-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 292.26 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(3-methoxypropoxy)-3-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 115468061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).