3-bromo-N'-hydroxy-4-(2-methoxyethoxy)benzenecarboximidamide

C10H13BrN2O3 — CID 82800243

IUPAC3-bromo-N'-hydroxy-4-(2-methoxyethoxy)benzenecarboximidamide
SMILESCOCCOc1ccc(/C(N)=N/O)cc1Br
InChIInChI=1S/C10H13BrN2O3/c1-15-4-5-16-9-3-2-7(6-8(9)11)10(12)13-14/h2-3,6,14H,4-5H2,1H3,(H2,12,13)
InChIKeyBTWUKVMNVXRBFN-UHFFFAOYSA-N
MW289.13 g/mol
LogP1.57
Rot. Bonds5

About 3-bromo-N'-hydroxy-4-(2-methoxyethoxy)benzenecarboximidamide

3-bromo-N'-hydroxy-4-(2-methoxyethoxy)benzenecarboximidamide (PubChem CID 82800243) has the molecular formula C10H13BrN2O3 and a molecular weight of 289.13 g/mol. Its IUPAC name is 3-bromo-N'-hydroxy-4-(2-methoxyethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name3-bromo-N'-hydroxy-4-(2-methoxyethoxy)benzenecarboximidamide
PubChem CID82800243
Molecular FormulaC10H13BrN2O3
Molecular Weight289.13 g/mol
Exact Mass288.01
IUPAC Name3-bromo-N'-hydroxy-4-(2-methoxyethoxy)benzenecarboximidamide
SMILESCOCCOc1ccc(/C(N)=N/O)cc1Br
InChIInChI=1S/C10H13BrN2O3/c1-15-4-5-16-9-3-2-7(6-8(9)11)10(12)13-14/h2-3,6,14H,4-5H2,1H3,(H2,12,13)
InChIKeyBTWUKVMNVXRBFN-UHFFFAOYSA-N
XLogP1.57
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

N'-hydroxy-3-methoxy-4-(2-methoxyethoxy)benzenecarboximidamide
CID 24691682
3-bromo-4-ethoxy-N'-hydroxybenzenecarboximidamide
CID 82799087
3-bromo-N'-hydroxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
CID 106665807
ethyl 3-bromo-4-(2-methoxyethoxy)benzoate
CID 11839084
3-chloro-N'-hydroxy-4-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide
CID 103177820
3-bromo-4-(2-methoxyethoxy)-N-methylbenzamide
CID 15943150
3-bromo-N'-hydroxy-4-(2-methoxyethylsulfanyl)benzenecarboximidamide
CID 82799158
N'-hydroxy-4-(3-methoxypropoxy)-3-(trifluoromethyl)benzenecarboximidamide
CID 115468061
3-bromo-4-butan-2-yloxy-N'-hydroxybenzenecarboximidamide
CID 82800140
1-[3-bromo-4-(2-methoxyethoxy)phenyl]-3,3-dimethylbutan-1-one
CID 113438033
[4-[3-bromo-4-(2-methoxyethoxy)benzoyl]piperazin-1-yl]-[3-bromo-4-(2-methoxyethoxy)phenyl]methanone
CID 17357131
3-bromo-N'-hydroxy-4-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 82798865

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-hydroxy-4-(2-methoxyethoxy)benzenecarboximidamide?
The IUPAC name of 3-bromo-N'-hydroxy-4-(2-methoxyethoxy)benzenecarboximidamide (CID 82800243) is 3-bromo-N'-hydroxy-4-(2-methoxyethoxy)benzenecarboximidamide.
What is the SMILES notation for 3-bromo-N'-hydroxy-4-(2-methoxyethoxy)benzenecarboximidamide?
The canonical SMILES for 3-bromo-N'-hydroxy-4-(2-methoxyethoxy)benzenecarboximidamide is COCCOc1ccc(/C(N)=N/O)cc1Br.
What is the InChIKey of 3-bromo-N'-hydroxy-4-(2-methoxyethoxy)benzenecarboximidamide?
The InChIKey is BTWUKVMNVXRBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3/c1-15-4-5-16-9-3-2-7(6-8(9)11)10(12)13-14/h2-3,6,14H,4-5H2,1H3,(H2,12,13).
What are the key properties of 3-bromo-N'-hydroxy-4-(2-methoxyethoxy)benzenecarboximidamide?
3-bromo-N'-hydroxy-4-(2-methoxyethoxy)benzenecarboximidamide has a molecular weight of 289.13 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N'-hydroxy-4-(2-methoxyethoxy)benzenecarboximidamide is sourced from PubChem (CID 82800243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).