5-bromo-N'-hydroxy-2-(1-phenylethoxy)benzenecarboximidamide

C15H15BrN2O2 — CID 114892713

IUPAC5-bromo-N'-hydroxy-2-(1-phenylethoxy)benzenecarboximidamide
SMILESCC(Oc1ccc(Br)cc1/C(N)=N/O)c1ccccc1
InChIInChI=1S/C15H15BrN2O2/c1-10(11-5-3-2-4-6-11)20-14-8-7-12(16)9-13(14)15(17)18-19/h2-10,19H,1H3,(H2,17,18)
InChIKeyUAZZYIWAQKRAFD-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.68
Rot. Bonds4

About 5-bromo-N'-hydroxy-2-(1-phenylethoxy)benzenecarboximidamide

5-bromo-N'-hydroxy-2-(1-phenylethoxy)benzenecarboximidamide (PubChem CID 114892713) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 5-bromo-N'-hydroxy-2-(1-phenylethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name5-bromo-N'-hydroxy-2-(1-phenylethoxy)benzenecarboximidamide
PubChem CID114892713
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name5-bromo-N'-hydroxy-2-(1-phenylethoxy)benzenecarboximidamide
SMILESCC(Oc1ccc(Br)cc1/C(N)=N/O)c1ccccc1
InChIInChI=1S/C15H15BrN2O2/c1-10(11-5-3-2-4-6-11)20-14-8-7-12(16)9-13(14)15(17)18-19/h2-10,19H,1H3,(H2,17,18)
InChIKeyUAZZYIWAQKRAFD-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
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-N'-hydroxy-6-(1-phenylethoxy)benzenecarboximidamide
CID 114883423
5-bromo-2-(2-bromophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892710
5-bromo-2-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892727
1-[4-bromo-2-(1-phenylethoxy)phenyl]ethanol
CID 102948374
5-bromo-N'-hydroxy-2-(4-methylphenoxy)benzenecarboximidamide
CID 114892715
2-(1-phenylethoxy)benzenecarbothioamide
CID 43200089
1-[5-bromo-2-[(1S)-1-phenylethoxy]phenyl]-2-pyridin-3-ylethanone
CID 159209384
5-bromo-N'-hydroxy-2-propan-2-ylsulfanylbenzenecarboximidamide
CID 114893539
5-(1-phenylethyl)-2-[1-[4-(1-phenylethyl)phenyl]ethoxy]benzoic acid
CID 151769590
5-bromo-2-pentan-3-yloxybenzenecarbothioamide
CID 83145045
5-bromo-2-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892753
5-bromo-2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892706

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-hydroxy-2-(1-phenylethoxy)benzenecarboximidamide?
The IUPAC name of 5-bromo-N'-hydroxy-2-(1-phenylethoxy)benzenecarboximidamide (CID 114892713) is 5-bromo-N'-hydroxy-2-(1-phenylethoxy)benzenecarboximidamide.
What is the SMILES notation for 5-bromo-N'-hydroxy-2-(1-phenylethoxy)benzenecarboximidamide?
The canonical SMILES for 5-bromo-N'-hydroxy-2-(1-phenylethoxy)benzenecarboximidamide is CC(Oc1ccc(Br)cc1/C(N)=N/O)c1ccccc1.
What is the InChIKey of 5-bromo-N'-hydroxy-2-(1-phenylethoxy)benzenecarboximidamide?
The InChIKey is UAZZYIWAQKRAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-10(11-5-3-2-4-6-11)20-14-8-7-12(16)9-13(14)15(17)18-19/h2-10,19H,1H3,(H2,17,18).
What are the key properties of 5-bromo-N'-hydroxy-2-(1-phenylethoxy)benzenecarboximidamide?
5-bromo-N'-hydroxy-2-(1-phenylethoxy)benzenecarboximidamide has a molecular weight of 335.20 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-hydroxy-2-(1-phenylethoxy)benzenecarboximidamide is sourced from PubChem (CID 114892713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).