2-bromo-6-(2-bromo-5-fluorophenoxy)-N'-hydroxybenzenecarboximidamide

C13H9Br2FN2O2 — CID 114883547

IUPAC2-bromo-6-(2-bromo-5-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1c(Br)cccc1Oc1cc(F)ccc1Br
InChIInChI=1S/C13H9Br2FN2O2/c14-8-5-4-7(16)6-11(8)20-10-3-1-2-9(15)12(10)13(17)18-19/h1-6,19H,(H2,17,18)
InChIKeyJUAQQIXPWOOPQQ-UHFFFAOYSA-N
MW404.03 g/mol
LogP4.24
Rot. Bonds3

About 2-bromo-6-(2-bromo-5-fluorophenoxy)-N'-hydroxybenzenecarboximidamide

2-bromo-6-(2-bromo-5-fluorophenoxy)-N'-hydroxybenzenecarboximidamide (PubChem CID 114883547) has the molecular formula C13H9Br2FN2O2 and a molecular weight of 404.03 g/mol. Its IUPAC name is 2-bromo-6-(2-bromo-5-fluorophenoxy)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-6-(2-bromo-5-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
PubChem CID114883547
Molecular FormulaC13H9Br2FN2O2
Molecular Weight404.03 g/mol
Exact Mass401.90
IUPAC Name2-bromo-6-(2-bromo-5-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1c(Br)cccc1Oc1cc(F)ccc1Br
InChIInChI=1S/C13H9Br2FN2O2/c14-8-5-4-7(16)6-11(8)20-10-3-1-2-9(15)12(10)13(17)18-19/h1-6,19H,(H2,17,18)
InChIKeyJUAQQIXPWOOPQQ-UHFFFAOYSA-N
XLogP4.24
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.03
LogP ≤ 54.24
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-(2-methoxyphenoxy)benzenecarboximidamide
CID 114883406
2-(2-bromophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004436
2-bromo-4-(2-bromo-5-fluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107536236
2-bromo-6-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 107169381
2-bromo-6-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114883438
2-(5-bromo-2-fluorophenoxy)-6-chloro-N'-hydroxybenzenecarboximidamide
CID 114673544
5-bromo-2-(2-bromophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892710
3-bromo-4-(2,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 82799197
2-fluoro-6-(4-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 79519799
2-(5-bromo-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide
CID 114673561
2-bromo-6-cycloheptyloxy-N'-hydroxybenzenecarboximidamide
CID 114883493
2-bromo-N'-hydroxy-6-(2,2,3,3-tetrafluoropropoxy)benzenecarboximidamide
CID 114883471

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(2-bromo-5-fluorophenoxy)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-bromo-6-(2-bromo-5-fluorophenoxy)-N'-hydroxybenzenecarboximidamide (CID 114883547) is 2-bromo-6-(2-bromo-5-fluorophenoxy)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-bromo-6-(2-bromo-5-fluorophenoxy)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-bromo-6-(2-bromo-5-fluorophenoxy)-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1c(Br)cccc1Oc1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-6-(2-bromo-5-fluorophenoxy)-N'-hydroxybenzenecarboximidamide?
The InChIKey is JUAQQIXPWOOPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2FN2O2/c14-8-5-4-7(16)6-11(8)20-10-3-1-2-9(15)12(10)13(17)18-19/h1-6,19H,(H2,17,18).
What are the key properties of 2-bromo-6-(2-bromo-5-fluorophenoxy)-N'-hydroxybenzenecarboximidamide?
2-bromo-6-(2-bromo-5-fluorophenoxy)-N'-hydroxybenzenecarboximidamide has a molecular weight of 404.03 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(2-bromo-5-fluorophenoxy)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 114883547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).