2-bromo-4-(2-ethylcyclohexyl)oxy-3-fluoro-N'-hydroxybenzenecarboximidamide

C15H20BrFN2O2 — CID 107536138

IUPAC2-bromo-4-(2-ethylcyclohexyl)oxy-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCC1CCCCC1Oc1ccc(/C(N)=N/O)c(Br)c1F
InChIInChI=1S/C15H20BrFN2O2/c1-2-9-5-3-4-6-11(9)21-12-8-7-10(15(18)19-20)13(16)14(12)17/h7-9,11,20H,2-6H2,1H3,(H2,18,19)
InChIKeyISICTGZAIFDGRM-UHFFFAOYSA-N
MW359.24 g/mol
LogP4.03
Rot. Bonds4

About 2-bromo-4-(2-ethylcyclohexyl)oxy-3-fluoro-N'-hydroxybenzenecarboximidamide

2-bromo-4-(2-ethylcyclohexyl)oxy-3-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 107536138) has the molecular formula C15H20BrFN2O2 and a molecular weight of 359.24 g/mol. Its IUPAC name is 2-bromo-4-(2-ethylcyclohexyl)oxy-3-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-4-(2-ethylcyclohexyl)oxy-3-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID107536138
Molecular FormulaC15H20BrFN2O2
Molecular Weight359.24 g/mol
Exact Mass358.07
IUPAC Name2-bromo-4-(2-ethylcyclohexyl)oxy-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCC1CCCCC1Oc1ccc(/C(N)=N/O)c(Br)c1F
InChIInChI=1S/C15H20BrFN2O2/c1-2-9-5-3-4-6-11(9)21-12-8-7-10(15(18)19-20)13(16)14(12)17/h7-9,11,20H,2-6H2,1H3,(H2,18,19)
InChIKeyISICTGZAIFDGRM-UHFFFAOYSA-N
XLogP4.03
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.24
LogP ≤ 54.03
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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Related Compounds

2-(2-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 77008777
2-bromo-3-fluoro-N'-hydroxy-4-(3-methylcyclohexyl)oxybenzenecarboximidamide
CID 107536167
2-bromo-3-fluoro-N'-hydroxy-4-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide
CID 107536190
2-bromo-4-cyclopentylsulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107537009
2-bromo-3-fluoro-N'-hydroxy-4-(4-methylpentoxy)benzenecarboximidamide
CID 107536164
2-(2-ethylcyclohexyl)oxy-4-fluorobenzoic acid
CID 107014244
2-bromo-4-(3-ethylpiperidin-1-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107535843
1-[4-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanone
CID 82967703
4-(2-ethylcyclohexyl)oxy-N'-hydroxy-3,5-dimethylbenzenecarboximidamide
CID 77068944
2-bromo-4-(chloromethyl)-1-(2-ethylcyclohexyl)oxybenzene
CID 55252184
4-(2-ethylcyclohexyl)oxy-3-fluorobenzenecarboximidamide
CID 43658441
2-bromo-4-[cyclopropyl(propyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107535820

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2-ethylcyclohexyl)oxy-3-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-bromo-4-(2-ethylcyclohexyl)oxy-3-fluoro-N'-hydroxybenzenecarboximidamide (CID 107536138) is 2-bromo-4-(2-ethylcyclohexyl)oxy-3-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-bromo-4-(2-ethylcyclohexyl)oxy-3-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-bromo-4-(2-ethylcyclohexyl)oxy-3-fluoro-N'-hydroxybenzenecarboximidamide is CCC1CCCCC1Oc1ccc(/C(N)=N/O)c(Br)c1F.
What is the InChIKey of 2-bromo-4-(2-ethylcyclohexyl)oxy-3-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is ISICTGZAIFDGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2O2/c1-2-9-5-3-4-6-11(9)21-12-8-7-10(15(18)19-20)13(16)14(12)17/h7-9,11,20H,2-6H2,1H3,(H2,18,19).
What are the key properties of 2-bromo-4-(2-ethylcyclohexyl)oxy-3-fluoro-N'-hydroxybenzenecarboximidamide?
2-bromo-4-(2-ethylcyclohexyl)oxy-3-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 359.24 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2-ethylcyclohexyl)oxy-3-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 107536138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).