2-bromo-3-fluoro-N'-hydroxy-4-(3-methylcyclohexyl)oxybenzenecarboximidamide

C14H18BrFN2O2 — CID 107536167

IUPAC2-bromo-3-fluoro-N'-hydroxy-4-(3-methylcyclohexyl)oxybenzenecarboximidamide
SMILESCC1CCCC(Oc2ccc(/C(N)=N/O)c(Br)c2F)C1
InChIInChI=1S/C14H18BrFN2O2/c1-8-3-2-4-9(7-8)20-11-6-5-10(14(17)18-19)12(15)13(11)16/h5-6,8-9,19H,2-4,7H2,1H3,(H2,17,18)
InChIKeyCIUCKEHQSLEFLU-UHFFFAOYSA-N
MW345.21 g/mol
LogP3.64
Rot. Bonds3

About 2-bromo-3-fluoro-N'-hydroxy-4-(3-methylcyclohexyl)oxybenzenecarboximidamide

2-bromo-3-fluoro-N'-hydroxy-4-(3-methylcyclohexyl)oxybenzenecarboximidamide (PubChem CID 107536167) has the molecular formula C14H18BrFN2O2 and a molecular weight of 345.21 g/mol. Its IUPAC name is 2-bromo-3-fluoro-N'-hydroxy-4-(3-methylcyclohexyl)oxybenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-3-fluoro-N'-hydroxy-4-(3-methylcyclohexyl)oxybenzenecarboximidamide
PubChem CID107536167
Molecular FormulaC14H18BrFN2O2
Molecular Weight345.21 g/mol
Exact Mass344.05
IUPAC Name2-bromo-3-fluoro-N'-hydroxy-4-(3-methylcyclohexyl)oxybenzenecarboximidamide
SMILESCC1CCCC(Oc2ccc(/C(N)=N/O)c(Br)c2F)C1
InChIInChI=1S/C14H18BrFN2O2/c1-8-3-2-4-9(7-8)20-11-6-5-10(14(17)18-19)12(15)13(11)16/h5-6,8-9,19H,2-4,7H2,1H3,(H2,17,18)
InChIKeyCIUCKEHQSLEFLU-UHFFFAOYSA-N
XLogP3.64
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 53.64
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-bromo-3-fluoro-N'-hydroxy-4-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide
CID 107536190
2-bromo-4-(2-ethylcyclohexyl)oxy-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107536138
2-bromo-4-cyclobutyloxy-3-fluorobenzenecarbothioamide
CID 107535656
2-bromo-4-(3,5-dimethylcyclohexyl)oxy-3-fluorobenzoic acid
CID 107540745
4-bromo-N'-hydroxy-2-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 114904230
[2-bromo-4-(3-ethylcyclohexyl)oxy-3-fluorophenyl]methanamine
CID 107532709
2-cycloheptyloxy-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 55233502
2-bromo-4-cyclopentylsulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107537009
2-bromo-3-fluoro-N'-hydroxy-4-(4-methylpentoxy)benzenecarboximidamide
CID 107536164
N'-hydroxy-2-methyl-6-(3-methylcyclohexyl)oxypyridine-4-carboximidamide
CID 137013763
2-bromo-N'-hydroxy-4-(3-methoxycyclohexyl)oxybenzenecarboximidamide
CID 107279013
5-fluoro-N'-hydroxy-2-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide
CID 77004550

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-fluoro-N'-hydroxy-4-(3-methylcyclohexyl)oxybenzenecarboximidamide?
The IUPAC name of 2-bromo-3-fluoro-N'-hydroxy-4-(3-methylcyclohexyl)oxybenzenecarboximidamide (CID 107536167) is 2-bromo-3-fluoro-N'-hydroxy-4-(3-methylcyclohexyl)oxybenzenecarboximidamide.
What is the SMILES notation for 2-bromo-3-fluoro-N'-hydroxy-4-(3-methylcyclohexyl)oxybenzenecarboximidamide?
The canonical SMILES for 2-bromo-3-fluoro-N'-hydroxy-4-(3-methylcyclohexyl)oxybenzenecarboximidamide is CC1CCCC(Oc2ccc(/C(N)=N/O)c(Br)c2F)C1.
What is the InChIKey of 2-bromo-3-fluoro-N'-hydroxy-4-(3-methylcyclohexyl)oxybenzenecarboximidamide?
The InChIKey is CIUCKEHQSLEFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O2/c1-8-3-2-4-9(7-8)20-11-6-5-10(14(17)18-19)12(15)13(11)16/h5-6,8-9,19H,2-4,7H2,1H3,(H2,17,18).
What are the key properties of 2-bromo-3-fluoro-N'-hydroxy-4-(3-methylcyclohexyl)oxybenzenecarboximidamide?
2-bromo-3-fluoro-N'-hydroxy-4-(3-methylcyclohexyl)oxybenzenecarboximidamide has a molecular weight of 345.21 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluoro-N'-hydroxy-4-(3-methylcyclohexyl)oxybenzenecarboximidamide is sourced from PubChem (CID 107536167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).