3-[(2-bromophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide

C15H15BrN2O2 — CID 107656922

IUPAC3-[(2-bromophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide
SMILESCc1ccc(/C(N)=N/O)cc1OCc1ccccc1Br
InChIInChI=1S/C15H15BrN2O2/c1-10-6-7-11(15(17)18-19)8-14(10)20-9-12-4-2-3-5-13(12)16/h2-8,19H,9H2,1H3,(H2,17,18)
InChIKeyCOKOFADEJCWKRC-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.43
Rot. Bonds4

About 3-[(2-bromophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide

3-[(2-bromophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide (PubChem CID 107656922) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name3-[(2-bromophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide
PubChem CID107656922
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name3-[(2-bromophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide
SMILESCc1ccc(/C(N)=N/O)cc1OCc1ccccc1Br
InChIInChI=1S/C15H15BrN2O2/c1-10-6-7-11(15(17)18-19)8-14(10)20-9-12-4-2-3-5-13(12)16/h2-8,19H,9H2,1H3,(H2,17,18)
InChIKeyCOKOFADEJCWKRC-UHFFFAOYSA-N
XLogP3.43
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.43
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

3-[(2,3-dichlorophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 107656853
2-[(2-bromophenyl)methoxy]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930251
3-[(2-bromophenyl)methoxy]-4-methylaniline
CID 43520223
2-[(2-bromophenyl)methoxy]-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013848
4-[(2,4-dibromophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114483303
3-[(2-chloro-5-fluorophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 107656951
4-[(2-bromophenyl)methoxy]-2,5-dimethylaniline
CID 55158064
2-[(2-bromophenyl)methoxy]-5-chloro-N'-hydroxybenzenecarboximidamide
CID 82824507
3-chloro-4-[(5-fluoro-2-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 102982030
2-[(2-bromo-4-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 43200113
N'-hydroxy-4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzenecarboximidamide
CID 107656724
3-[(5-fluoro-2-methylphenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136744785

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide?
The IUPAC name of 3-[(2-bromophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide (CID 107656922) is 3-[(2-bromophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide.
What is the SMILES notation for 3-[(2-bromophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide?
The canonical SMILES for 3-[(2-bromophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide is Cc1ccc(/C(N)=N/O)cc1OCc1ccccc1Br.
What is the InChIKey of 3-[(2-bromophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide?
The InChIKey is COKOFADEJCWKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-10-6-7-11(15(17)18-19)8-14(10)20-9-12-4-2-3-5-13(12)16/h2-8,19H,9H2,1H3,(H2,17,18).
What are the key properties of 3-[(2-bromophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide?
3-[(2-bromophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide has a molecular weight of 335.20 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide is sourced from PubChem (CID 107656922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).