2-(5-bromo-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide

C14H12BrFN2O2S — CID 114673561

IUPAC2-(5-bromo-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide
SMILESCSc1cccc(Oc2cc(Br)ccc2F)c1/C(N)=N/O
InChIInChI=1S/C14H12BrFN2O2S/c1-21-12-4-2-3-10(13(12)14(17)18-19)20-11-7-8(15)5-6-9(11)16/h2-7,19H,1H3,(H2,17,18)
InChIKeyTZFDGVBQXFURJA-UHFFFAOYSA-N
MW371.23 g/mol
LogP4.20
Rot. Bonds4

About 2-(5-bromo-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide

2-(5-bromo-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide (PubChem CID 114673561) has the molecular formula C14H12BrFN2O2S and a molecular weight of 371.23 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide
PubChem CID114673561
Molecular FormulaC14H12BrFN2O2S
Molecular Weight371.23 g/mol
Exact Mass369.98
IUPAC Name2-(5-bromo-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide
SMILESCSc1cccc(Oc2cc(Br)ccc2F)c1/C(N)=N/O
InChIInChI=1S/C14H12BrFN2O2S/c1-21-12-4-2-3-10(13(12)14(17)18-19)20-11-7-8(15)5-6-9(11)16/h2-7,19H,1H3,(H2,17,18)
InChIKeyTZFDGVBQXFURJA-UHFFFAOYSA-N
XLogP4.20
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(5-bromo-2-fluorophenoxy)-6-chloro-N'-hydroxybenzenecarboximidamide
CID 114673544
2-(3-chloro-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide
CID 116689183
4-bromo-2-(5-bromo-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114904369
2-(5-bromo-2-fluorophenoxy)-6-methylsulfanylbenzonitrile
CID 114672362
2-(5-bromo-2-methylphenoxy)-6-methylsulfanylbenzenecarboximidamide
CID 107284685
4-(5-bromo-2-fluorophenoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
CID 114673566
(1R)-1-[2-(5-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanol
CID 104940737
5-(5-bromo-2-fluorophenoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 114673540
2-bromo-6-(2-bromo-5-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114883547
2-(2,5-difluorophenyl)sulfanyl-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 79522371
5-bromo-2-(5-bromo-2-fluorophenoxy)benzenecarbothioamide
CID 114892303
5-bromo-2-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892727

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide?
The IUPAC name of 2-(5-bromo-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide (CID 114673561) is 2-(5-bromo-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide.
What is the SMILES notation for 2-(5-bromo-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide?
The canonical SMILES for 2-(5-bromo-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide is CSc1cccc(Oc2cc(Br)ccc2F)c1/C(N)=N/O.
What is the InChIKey of 2-(5-bromo-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide?
The InChIKey is TZFDGVBQXFURJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O2S/c1-21-12-4-2-3-10(13(12)14(17)18-19)20-11-7-8(15)5-6-9(11)16/h2-7,19H,1H3,(H2,17,18).
What are the key properties of 2-(5-bromo-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide?
2-(5-bromo-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide has a molecular weight of 371.23 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide is sourced from PubChem (CID 114673561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).