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

C14H19BrN2O2 — CID 114904230

IUPAC4-bromo-N'-hydroxy-2-(4-methylcyclohexyl)oxybenzenecarboximidamide
SMILESCC1CCC(Oc2cc(Br)ccc2/C(N)=N/O)CC1
InChIInChI=1S/C14H19BrN2O2/c1-9-2-5-11(6-3-9)19-13-8-10(15)4-7-12(13)14(16)17-18/h4,7-9,11,18H,2-3,5-6H2,1H3,(H2,16,17)
InChIKeyIDPSGTVQBYBSEI-UHFFFAOYSA-N
MW327.22 g/mol
LogP3.50
Rot. Bonds3

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

4-bromo-N'-hydroxy-2-(4-methylcyclohexyl)oxybenzenecarboximidamide (PubChem CID 114904230) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 4-bromo-N'-hydroxy-2-(4-methylcyclohexyl)oxybenzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-N'-hydroxy-2-(4-methylcyclohexyl)oxybenzenecarboximidamide
PubChem CID114904230
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name4-bromo-N'-hydroxy-2-(4-methylcyclohexyl)oxybenzenecarboximidamide
SMILESCC1CCC(Oc2cc(Br)ccc2/C(N)=N/O)CC1
InChIInChI=1S/C14H19BrN2O2/c1-9-2-5-11(6-3-9)19-13-8-10(15)4-7-12(13)14(16)17-18/h4,7-9,11,18H,2-3,5-6H2,1H3,(H2,16,17)
InChIKeyIDPSGTVQBYBSEI-UHFFFAOYSA-N
XLogP3.50
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.50
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

5-bromo-N'-hydroxy-2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide
CID 114892765
4-bromo-1-methyl-2-(4-methylcyclohexyl)oxybenzene
CID 107283955
4-bromo-2-(5-bromo-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 107284634
N-[5-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4-methylcyclohexane-1-carboxamide
CID 107800722
N'-hydroxy-4-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 43188242
4-chloro-2-cyclohexyloxy-N'-hydroxybenzenecarboximidamide
CID 76985015
2-bromo-3-fluoro-N'-hydroxy-4-(3-methylcyclohexyl)oxybenzenecarboximidamide
CID 107536167
N'-hydroxy-2-(4-methylcyclohexyl)oxypyridine-3-carboximidamide
CID 24699534
1-(4-bromo-2-cyclopentyloxyphenyl)ethanone
CID 70085923
4-bromo-2-(5-bromo-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114904369
N'-hydroxy-4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide
CID 81303944
4-bromo-2-(3,5-dimethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 114903868

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-hydroxy-2-(4-methylcyclohexyl)oxybenzenecarboximidamide?
The IUPAC name of 4-bromo-N'-hydroxy-2-(4-methylcyclohexyl)oxybenzenecarboximidamide (CID 114904230) is 4-bromo-N'-hydroxy-2-(4-methylcyclohexyl)oxybenzenecarboximidamide.
What is the SMILES notation for 4-bromo-N'-hydroxy-2-(4-methylcyclohexyl)oxybenzenecarboximidamide?
The canonical SMILES for 4-bromo-N'-hydroxy-2-(4-methylcyclohexyl)oxybenzenecarboximidamide is CC1CCC(Oc2cc(Br)ccc2/C(N)=N/O)CC1.
What is the InChIKey of 4-bromo-N'-hydroxy-2-(4-methylcyclohexyl)oxybenzenecarboximidamide?
The InChIKey is IDPSGTVQBYBSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-9-2-5-11(6-3-9)19-13-8-10(15)4-7-12(13)14(16)17-18/h4,7-9,11,18H,2-3,5-6H2,1H3,(H2,16,17).
What are the key properties of 4-bromo-N'-hydroxy-2-(4-methylcyclohexyl)oxybenzenecarboximidamide?
4-bromo-N'-hydroxy-2-(4-methylcyclohexyl)oxybenzenecarboximidamide has a molecular weight of 327.22 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-hydroxy-2-(4-methylcyclohexyl)oxybenzenecarboximidamide is sourced from PubChem (CID 114904230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).