2-(2-bromophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide

C13H10BrFN2O2 — CID 77004436

IUPAC2-(2-bromophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1cc(F)ccc1Oc1ccccc1Br
InChIInChI=1S/C13H10BrFN2O2/c14-10-3-1-2-4-12(10)19-11-6-5-8(15)7-9(11)13(16)17-18/h1-7,18H,(H2,16,17)
InChIKeyKUIVDBDXLQTGDH-UHFFFAOYSA-N
MW325.14 g/mol
LogP3.47
Rot. Bonds3

About 2-(2-bromophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide

2-(2-bromophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 77004436) has the molecular formula C13H10BrFN2O2 and a molecular weight of 325.14 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID77004436
Molecular FormulaC13H10BrFN2O2
Molecular Weight325.14 g/mol
Exact Mass323.99
IUPAC Name2-(2-bromophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1cc(F)ccc1Oc1ccccc1Br
InChIInChI=1S/C13H10BrFN2O2/c14-10-3-1-2-4-12(10)19-11-6-5-8(15)7-9(11)13(16)17-18/h1-7,18H,(H2,16,17)
InChIKeyKUIVDBDXLQTGDH-UHFFFAOYSA-N
XLogP3.47
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.14
LogP ≤ 53.47
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-2-(2-bromophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892710
2-(2-chlorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 55232502
2-(3-bromo-5-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 81331722
5-bromo-2-(4-fluoro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892801
2-bromo-4-(2-bromo-5-fluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107536236
2-(2-bromophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938982
3-bromo-4-(2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 82800024
2-bromo-6-(2-bromo-5-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114883547
5-bromo-2-(5-fluoro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 102981960
5-chloro-2-(2,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 76992475
3-bromo-4-(2,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 82799197
2-(3,5-dimethylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004432

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-(2-bromophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide (CID 77004436) is 2-(2-bromophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-(2-bromophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-(2-bromophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide is NC(=NO)c1cc(F)ccc1Oc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is KUIVDBDXLQTGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O2/c14-10-3-1-2-4-12(10)19-11-6-5-8(15)7-9(11)13(16)17-18/h1-7,18H,(H2,16,17).
What are the key properties of 2-(2-bromophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide?
2-(2-bromophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 325.14 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77004436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).