4-(2-bromo-4-chlorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide

C13H9BrClFN2O2 — CID 43658275

IUPAC4-(2-bromo-4-chlorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(Oc2ccc(Cl)cc2Br)c(F)c1
InChIInChI=1S/C13H9BrClFN2O2/c14-9-6-8(15)2-4-11(9)20-12-3-1-7(5-10(12)16)13(17)18-19/h1-6,19H,(H2,17,18)
InChIKeyUBPXKDXGXDMNSG-UHFFFAOYSA-N
MW359.58 g/mol
LogP4.13
Rot. Bonds3

About 4-(2-bromo-4-chlorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide

4-(2-bromo-4-chlorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 43658275) has the molecular formula C13H9BrClFN2O2 and a molecular weight of 359.58 g/mol. Its IUPAC name is 4-(2-bromo-4-chlorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(2-bromo-4-chlorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID43658275
Molecular FormulaC13H9BrClFN2O2
Molecular Weight359.58 g/mol
Exact Mass357.95
IUPAC Name4-(2-bromo-4-chlorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(Oc2ccc(Cl)cc2Br)c(F)c1
InChIInChI=1S/C13H9BrClFN2O2/c14-9-6-8(15)2-4-11(9)20-12-3-1-7(5-10(12)16)13(17)18-19/h1-6,19H,(H2,17,18)
InChIKeyUBPXKDXGXDMNSG-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

3-bromo-4-(2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 82800024
3-bromo-4-(2,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 82799197
4-(2,4-difluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658337
4-[(5-chloro-2-fluorophenyl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107666251
3-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide
CID 2756972
4-(2,4-dichlorophenoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
CID 81286790
3-bromo-N'-hydroxy-4-phenoxybenzenecarboximidamide
CID 82799401
4-(2-bromo-4-chlorophenoxy)-3,5-difluorobenzenecarbothioamide
CID 81285921
3-fluoro-N'-hydroxy-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 43658276
2-(2-bromo-4-methylphenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide
CID 76944539
2-(4-bromo-3-fluorophenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide
CID 77059489
4-(difluoromethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107666402

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-chlorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-(2-bromo-4-chlorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide (CID 43658275) is 4-(2-bromo-4-chlorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-(2-bromo-4-chlorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-(2-bromo-4-chlorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide is N/C(=N\O)c1ccc(Oc2ccc(Cl)cc2Br)c(F)c1.
What is the InChIKey of 4-(2-bromo-4-chlorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is UBPXKDXGXDMNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFN2O2/c14-9-6-8(15)2-4-11(9)20-12-3-1-7(5-10(12)16)13(17)18-19/h1-6,19H,(H2,17,18).
What are the key properties of 4-(2-bromo-4-chlorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide?
4-(2-bromo-4-chlorophenoxy)-3-fluoro-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 4-(2-bromo-4-chlorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 43658275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).