2-(3-bromo-5-fluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide

C14H12BrFN2O2 — CID 107930240

IUPAC2-(3-bromo-5-fluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
SMILESCc1ccc(Oc2cc(F)cc(Br)c2)c(/C(N)=N/O)c1
InChIInChI=1S/C14H12BrFN2O2/c1-8-2-3-13(12(4-8)14(17)18-19)20-11-6-9(15)5-10(16)7-11/h2-7,19H,1H3,(H2,17,18)
InChIKeyNLWHYYDUZXTXKU-UHFFFAOYSA-N
MW339.16 g/mol
LogP3.78
Rot. Bonds3

About 2-(3-bromo-5-fluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide

2-(3-bromo-5-fluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide (PubChem CID 107930240) has the molecular formula C14H12BrFN2O2 and a molecular weight of 339.16 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
PubChem CID107930240
Molecular FormulaC14H12BrFN2O2
Molecular Weight339.16 g/mol
Exact Mass338.01
IUPAC Name2-(3-bromo-5-fluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
SMILESCc1ccc(Oc2cc(F)cc(Br)c2)c(/C(N)=N/O)c1
InChIInChI=1S/C14H12BrFN2O2/c1-8-2-3-13(12(4-8)14(17)18-19)20-11-6-9(15)5-10(16)7-11/h2-7,19H,1H3,(H2,17,18)
InChIKeyNLWHYYDUZXTXKU-UHFFFAOYSA-N
XLogP3.78
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 53.78
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-fluoro-N'-hydroxybenzenecarboximidamide
CID 81331722
2-(3-bromo-5-fluorophenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide
CID 81331312
2-(3-bromo-5-fluorophenoxy)-5-methylbenzoic acid
CID 81331429
5-bromo-N'-hydroxy-2-(4-methylphenoxy)benzenecarboximidamide
CID 114892715
2-(3,5-dimethylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004432
N'-hydroxy-5-methyl-2-phenoxybenzenecarboximidamide
CID 107930097
2-(2,4-difluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930131
2-(2-chloro-4-methylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004117
2-(3-bromo-5-fluorophenoxy)-4-methylbenzenecarboximidamide
CID 81332379
2-(5-bromo-2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930220
2-(4-fluorophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76939029
5-bromo-2-(4-fluoro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892801

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide?
The IUPAC name of 2-(3-bromo-5-fluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide (CID 107930240) is 2-(3-bromo-5-fluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(3-bromo-5-fluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide?
The canonical SMILES for 2-(3-bromo-5-fluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide is Cc1ccc(Oc2cc(F)cc(Br)c2)c(/C(N)=N/O)c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide?
The InChIKey is NLWHYYDUZXTXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O2/c1-8-2-3-13(12(4-8)14(17)18-19)20-11-6-9(15)5-10(16)7-11/h2-7,19H,1H3,(H2,17,18).
What are the key properties of 2-(3-bromo-5-fluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide?
2-(3-bromo-5-fluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide has a molecular weight of 339.16 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide is sourced from PubChem (CID 107930240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).