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

C13H8Br2F2N2O2 — CID 107536236

IUPAC2-bromo-4-(2-bromo-5-fluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Oc2cc(F)ccc2Br)c(F)c1Br
InChIInChI=1S/C13H8Br2F2N2O2/c14-8-3-1-6(16)5-10(8)21-9-4-2-7(13(18)19-20)11(15)12(9)17/h1-5,20H,(H2,18,19)
InChIKeyFJKIUEBMHHUFSI-UHFFFAOYSA-N
MW422.02 g/mol
LogP4.38
Rot. Bonds3

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

2-bromo-4-(2-bromo-5-fluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 107536236) has the molecular formula C13H8Br2F2N2O2 and a molecular weight of 422.02 g/mol. Its IUPAC name is 2-bromo-4-(2-bromo-5-fluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-4-(2-bromo-5-fluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID107536236
Molecular FormulaC13H8Br2F2N2O2
Molecular Weight422.02 g/mol
Exact Mass419.89
IUPAC Name2-bromo-4-(2-bromo-5-fluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Oc2cc(F)ccc2Br)c(F)c1Br
InChIInChI=1S/C13H8Br2F2N2O2/c14-8-3-1-6(16)5-10(8)21-9-4-2-7(13(18)19-20)11(15)12(9)17/h1-5,20H,(H2,18,19)
InChIKeyFJKIUEBMHHUFSI-UHFFFAOYSA-N
XLogP4.38
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.02
LogP ≤ 54.38
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-4-(2-bromo-5-fluorophenoxy)-3-fluorobenzoic acid
CID 107540760
2-bromo-4-(4-bromo-3-methylphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107536246
2-(2-bromophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004436
2-bromo-6-(2-bromo-5-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114883547
2-bromo-4-(3,4-dichlorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107536180
2-(2-bromo-4-fluorophenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916330
2-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide
CID 107275304
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
5-bromo-2-(4-fluoro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892801
2-bromo-3-fluoro-N'-hydroxy-4-(4-methylpentoxy)benzenecarboximidamide
CID 107536164

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2-bromo-5-fluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-bromo-4-(2-bromo-5-fluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide (CID 107536236) is 2-bromo-4-(2-bromo-5-fluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-bromo-4-(2-bromo-5-fluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-bromo-4-(2-bromo-5-fluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccc(Oc2cc(F)ccc2Br)c(F)c1Br.
What is the InChIKey of 2-bromo-4-(2-bromo-5-fluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is FJKIUEBMHHUFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2F2N2O2/c14-8-3-1-6(16)5-10(8)21-9-4-2-7(13(18)19-20)11(15)12(9)17/h1-5,20H,(H2,18,19).
What are the key properties of 2-bromo-4-(2-bromo-5-fluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide?
2-bromo-4-(2-bromo-5-fluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 422.02 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2-bromo-5-fluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 107536236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).