4-butoxy-N'-hydroxy-2-(trifluoromethyl)benzenecarboximidamide

C12H15F3N2O2 — CID 43267718

IUPAC4-butoxy-N'-hydroxy-2-(trifluoromethyl)benzenecarboximidamide
SMILESCCCCOc1ccc(/C(N)=N/O)c(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O2/c1-2-3-6-19-8-4-5-9(11(16)17-18)10(7-8)12(13,14)15/h4-5,7,18H,2-3,6H2,1H3,(H2,16,17)
InChIKeyAWLMZDQQXCACST-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.98
Rot. Bonds5

About 4-butoxy-N'-hydroxy-2-(trifluoromethyl)benzenecarboximidamide

4-butoxy-N'-hydroxy-2-(trifluoromethyl)benzenecarboximidamide (PubChem CID 43267718) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 4-butoxy-N'-hydroxy-2-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-butoxy-N'-hydroxy-2-(trifluoromethyl)benzenecarboximidamide
PubChem CID43267718
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name4-butoxy-N'-hydroxy-2-(trifluoromethyl)benzenecarboximidamide
SMILESCCCCOc1ccc(/C(N)=N/O)c(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O2/c1-2-3-6-19-8-4-5-9(11(16)17-18)10(7-8)12(13,14)15/h4-5,7,18H,2-3,6H2,1H3,(H2,16,17)
InChIKeyAWLMZDQQXCACST-UHFFFAOYSA-N
XLogP2.98
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze 4-butoxy-N'-hydroxy-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

2-bromo-4-heptoxy-N'-hydroxybenzenecarboximidamide
CID 107278949
N'-hydroxy-5-(2-methylpentoxy)-2-(trifluoromethyl)benzenecarboximidamide
CID 103283898
4-(2-ethoxyethoxy)-2-(trifluoromethyl)benzenecarbothioamide
CID 43320848
2-chloro-N'-hydroxy-4-[3-(2,2,2-trifluoroethoxy)propoxy]benzenecarboximidamide
CID 102724450
4-butoxy-N'-hydroxybenzenecarboximidamide
CID 2255598
[4-octoxy-2-(trifluoromethyl)phenyl]methanamine
CID 43320906
N'-hydroxy-4-(3-methoxypropoxy)-2-methylbenzenecarboximidamide
CID 81277376
N'-hydroxy-4-(3-hydroxypropylsulfanyl)-2-(trifluoromethyl)benzenecarboximidamide
CID 77112989
5-dodecoxy-2-(trifluoromethyl)phenol
CID 169297983
4-(2-methoxyethoxy)-2-(trifluoromethyl)benzoic acid
CID 62701897
N'-hydroxy-4-methyl-2-octoxybenzenecarboximidamide
CID 76999670
2-butoxy-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930175

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N'-hydroxy-2-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 4-butoxy-N'-hydroxy-2-(trifluoromethyl)benzenecarboximidamide (CID 43267718) is 4-butoxy-N'-hydroxy-2-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 4-butoxy-N'-hydroxy-2-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 4-butoxy-N'-hydroxy-2-(trifluoromethyl)benzenecarboximidamide is CCCCOc1ccc(/C(N)=N/O)c(C(F)(F)F)c1.
What is the InChIKey of 4-butoxy-N'-hydroxy-2-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is AWLMZDQQXCACST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-2-3-6-19-8-4-5-9(11(16)17-18)10(7-8)12(13,14)15/h4-5,7,18H,2-3,6H2,1H3,(H2,16,17).
What are the key properties of 4-butoxy-N'-hydroxy-2-(trifluoromethyl)benzenecarboximidamide?
4-butoxy-N'-hydroxy-2-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 276.26 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N'-hydroxy-2-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 43267718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).