2-bromo-N'-hydroxy-6-(1-phenylethoxy)benzenecarboximidamide

C15H15BrN2O2 — CID 114883423

IUPAC2-bromo-N'-hydroxy-6-(1-phenylethoxy)benzenecarboximidamide
SMILESCC(Oc1cccc(Br)c1/C(N)=N/O)c1ccccc1
InChIInChI=1S/C15H15BrN2O2/c1-10(11-6-3-2-4-7-11)20-13-9-5-8-12(16)14(13)15(17)18-19/h2-10,19H,1H3,(H2,17,18)
InChIKeySEUWCFYUJRVUIP-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.68
Rot. Bonds4

About 2-bromo-N'-hydroxy-6-(1-phenylethoxy)benzenecarboximidamide

2-bromo-N'-hydroxy-6-(1-phenylethoxy)benzenecarboximidamide (PubChem CID 114883423) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-bromo-N'-hydroxy-6-(1-phenylethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-N'-hydroxy-6-(1-phenylethoxy)benzenecarboximidamide
PubChem CID114883423
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name2-bromo-N'-hydroxy-6-(1-phenylethoxy)benzenecarboximidamide
SMILESCC(Oc1cccc(Br)c1/C(N)=N/O)c1ccccc1
InChIInChI=1S/C15H15BrN2O2/c1-10(11-6-3-2-4-7-11)20-13-9-5-8-12(16)14(13)15(17)18-19/h2-10,19H,1H3,(H2,17,18)
InChIKeySEUWCFYUJRVUIP-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

5-bromo-N'-hydroxy-2-(1-phenylethoxy)benzenecarboximidamide
CID 114892713
2-bromo-N'-hydroxy-6-(2-methoxyphenoxy)benzenecarboximidamide
CID 114883406
2-bromo-N'-hydroxy-6-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide
CID 106447734
2-bromo-6-cycloheptyloxy-N'-hydroxybenzenecarboximidamide
CID 114883493
3-[1-(2-bromophenoxy)ethyl]aniline
CID 61262951
2-bromo-N'-hydroxy-6-phenylsulfanylbenzenecarboximidamide
CID 114884262
2-fluoro-N'-hydroxy-6-propan-2-yloxybenzenecarboximidamide
CID 74881969
2-bromo-N'-hydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenecarboximidamide
CID 114883559
2,6-bis(difluoromethoxy)-N'-hydroxybenzenecarboximidamide
CID 11402917
2-(1-phenylethoxy)benzenecarbothioamide
CID 43200089
2-bromo-N'-hydroxy-6-(2,2,3,3-tetrafluoropropoxy)benzenecarboximidamide
CID 114883471
2-bromo-6-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114883438

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N'-hydroxy-6-(1-phenylethoxy)benzenecarboximidamide?
The IUPAC name of 2-bromo-N'-hydroxy-6-(1-phenylethoxy)benzenecarboximidamide (CID 114883423) is 2-bromo-N'-hydroxy-6-(1-phenylethoxy)benzenecarboximidamide.
What is the SMILES notation for 2-bromo-N'-hydroxy-6-(1-phenylethoxy)benzenecarboximidamide?
The canonical SMILES for 2-bromo-N'-hydroxy-6-(1-phenylethoxy)benzenecarboximidamide is CC(Oc1cccc(Br)c1/C(N)=N/O)c1ccccc1.
What is the InChIKey of 2-bromo-N'-hydroxy-6-(1-phenylethoxy)benzenecarboximidamide?
The InChIKey is SEUWCFYUJRVUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-10(11-6-3-2-4-7-11)20-13-9-5-8-12(16)14(13)15(17)18-19/h2-10,19H,1H3,(H2,17,18).
What are the key properties of 2-bromo-N'-hydroxy-6-(1-phenylethoxy)benzenecarboximidamide?
2-bromo-N'-hydroxy-6-(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 2-bromo-N'-hydroxy-6-(1-phenylethoxy)benzenecarboximidamide is sourced from PubChem (CID 114883423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).