2-(4-bromo-3-fluorophenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide

C13H9BrClFN2O2 — CID 77059489

IUPAC2-(4-bromo-3-fluorophenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1cc(Cl)ccc1Oc1ccc(Br)c(F)c1
InChIInChI=1S/C13H9BrClFN2O2/c14-10-3-2-8(6-11(10)16)20-12-4-1-7(15)5-9(12)13(17)18-19/h1-6,19H,(H2,17,18)
InChIKeyHHDKJCQKQPPOTL-UHFFFAOYSA-N
MW359.58 g/mol
LogP4.13
Rot. Bonds3

About 2-(4-bromo-3-fluorophenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide

2-(4-bromo-3-fluorophenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide (PubChem CID 77059489) has the molecular formula C13H9BrClFN2O2 and a molecular weight of 359.58 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide
PubChem CID77059489
Molecular FormulaC13H9BrClFN2O2
Molecular Weight359.58 g/mol
Exact Mass357.95
IUPAC Name2-(4-bromo-3-fluorophenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1cc(Cl)ccc1Oc1ccc(Br)c(F)c1
InChIInChI=1S/C13H9BrClFN2O2/c14-10-3-2-8(6-11(10)16)20-12-4-1-7(15)5-9(12)13(17)18-19/h1-6,19H,(H2,17,18)
InChIKeyHHDKJCQKQPPOTL-UHFFFAOYSA-N
XLogP4.13
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.58
LogP ≤ 54.13
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-(3-bromo-5-fluorophenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide
CID 81331312
2-(3-chloro-4-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77010316
5-chloro-2-(2,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 76992475
5-chloro-N'-hydroxy-2-(4-propan-2-ylphenoxy)benzenecarboximidamide
CID 76997856
2-(2-bromo-4-methylphenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide
CID 76944539
5-bromo-2-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892753
5-chloro-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 82490852
4-(2-bromo-4-chlorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658275
2-(4-chloro-3-methylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004510
2-bromo-4-(3,4-dichlorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107536180
4-bromo-2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114904195
4-chloro-2-(3-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 55182535

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-(4-bromo-3-fluorophenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide (CID 77059489) is 2-(4-bromo-3-fluorophenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-(4-bromo-3-fluorophenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-(4-bromo-3-fluorophenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide is NC(=NO)c1cc(Cl)ccc1Oc1ccc(Br)c(F)c1.
What is the InChIKey of 2-(4-bromo-3-fluorophenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide?
The InChIKey is HHDKJCQKQPPOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFN2O2/c14-10-3-2-8(6-11(10)16)20-12-4-1-7(15)5-9(12)13(17)18-19/h1-6,19H,(H2,17,18).
What are the key properties of 2-(4-bromo-3-fluorophenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide?
2-(4-bromo-3-fluorophenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide has a molecular weight of 359.58 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluorophenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77059489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).