3-bromo-4-cyclobutyloxy-N'-hydroxybenzenecarboximidamide

C11H13BrN2O2 — CID 82800147

IUPAC3-bromo-4-cyclobutyloxy-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(OC2CCC2)c(Br)c1
InChIInChI=1S/C11H13BrN2O2/c12-9-6-7(11(13)14-15)4-5-10(9)16-8-2-1-3-8/h4-6,8,15H,1-3H2,(H2,13,14)
InChIKeyWAYPPDUUKXYRIY-UHFFFAOYSA-N
MW285.14 g/mol
LogP2.47
Rot. Bonds3

About 3-bromo-4-cyclobutyloxy-N'-hydroxybenzenecarboximidamide

3-bromo-4-cyclobutyloxy-N'-hydroxybenzenecarboximidamide (PubChem CID 82800147) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 3-bromo-4-cyclobutyloxy-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-bromo-4-cyclobutyloxy-N'-hydroxybenzenecarboximidamide
PubChem CID82800147
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name3-bromo-4-cyclobutyloxy-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(OC2CCC2)c(Br)c1
InChIInChI=1S/C11H13BrN2O2/c12-9-6-7(11(13)14-15)4-5-10(9)16-8-2-1-3-8/h4-6,8,15H,1-3H2,(H2,13,14)
InChIKeyWAYPPDUUKXYRIY-UHFFFAOYSA-N
XLogP2.47
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 52.47
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

4-cyclobutyloxy-N'-hydroxy-3-methylbenzenecarboximidamide
CID 76936695
4-cyclohexyloxy-3-ethoxy-N'-hydroxybenzenecarboximidamide
CID 76899248
4-cycloheptyloxy-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 76934909
methyl 3-bromo-4-cyclobutyloxybenzoate
CID 18782514
3-bromo-N'-hydroxy-4-phenoxybenzenecarboximidamide
CID 82799401
3-bromo-4-ethoxy-N'-hydroxybenzenecarboximidamide
CID 82799087
2-bromo-6-cycloheptyloxy-N'-hydroxybenzenecarboximidamide
CID 114883493
3-bromo-4-cyclopentyloxyphenol
CID 68761541
3-bromo-4-[(3S)-piperidin-3-yl]oxybenzamide
CID 82800343
3-bromo-4-cyclohexylsulfanyl-N'-hydroxybenzenecarboximidamide
CID 82799684
3-bromo-N'-hydroxy-4-(2-methoxyethoxy)benzenecarboximidamide
CID 82800243
2-bromo-1-cyclobutyloxy-4-methylbenzene
CID 84702402

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-cyclobutyloxy-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-bromo-4-cyclobutyloxy-N'-hydroxybenzenecarboximidamide (CID 82800147) is 3-bromo-4-cyclobutyloxy-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-bromo-4-cyclobutyloxy-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-bromo-4-cyclobutyloxy-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccc(OC2CCC2)c(Br)c1.
What is the InChIKey of 3-bromo-4-cyclobutyloxy-N'-hydroxybenzenecarboximidamide?
The InChIKey is WAYPPDUUKXYRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c12-9-6-7(11(13)14-15)4-5-10(9)16-8-2-1-3-8/h4-6,8,15H,1-3H2,(H2,13,14).
What are the key properties of 3-bromo-4-cyclobutyloxy-N'-hydroxybenzenecarboximidamide?
3-bromo-4-cyclobutyloxy-N'-hydroxybenzenecarboximidamide has a molecular weight of 285.14 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-cyclobutyloxy-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 82800147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).