4-(4-bromo-2-fluorophenoxy)benzenecarboximidamide

C13H10BrFN2O — CID 43123450

IUPAC4-(4-bromo-2-fluorophenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(Br)cc2F)cc1
InChIInChI=1S/C13H10BrFN2O/c14-9-3-6-12(11(15)7-9)18-10-4-1-8(2-5-10)13(16)17/h1-7H,(H3,16,17)
InChIKeyJGWGIOSJSVYRQH-UHFFFAOYSA-N
MW309.14 g/mol
LogP3.66
Rot. Bonds3

About 4-(4-bromo-2-fluorophenoxy)benzenecarboximidamide

4-(4-bromo-2-fluorophenoxy)benzenecarboximidamide (PubChem CID 43123450) has the molecular formula C13H10BrFN2O and a molecular weight of 309.14 g/mol. Its IUPAC name is 4-(4-bromo-2-fluorophenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name4-(4-bromo-2-fluorophenoxy)benzenecarboximidamide
PubChem CID43123450
Molecular FormulaC13H10BrFN2O
Molecular Weight309.14 g/mol
Exact Mass308.00
IUPAC Name4-(4-bromo-2-fluorophenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(Br)cc2F)cc1
InChIInChI=1S/C13H10BrFN2O/c14-9-3-6-12(11(15)7-9)18-10-4-1-8(2-5-10)13(16)17/h1-7H,(H3,16,17)
InChIKeyJGWGIOSJSVYRQH-UHFFFAOYSA-N
XLogP3.66
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.14
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-(4-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 107279544
3-fluoro-4-(4-methoxyphenoxy)benzenecarboximidamide;hydrochloride
CID 82240746
2-(4-bromo-2-fluorophenoxy)pyridine-4-carboximidamide
CID 43123451
2-(4-bromo-2-fluorophenoxy)-4-methoxybenzenecarboximidamide
CID 81303138
3-bromo-4-(4-bromo-3-fluorophenoxy)benzenecarboximidamide
CID 82799032
2-(4-bromo-2-fluorophenoxy)-4-chlorobenzenecarboximidamide
CID 63093540
4-(5-bromo-2-fluorophenoxy)-3-chlorobenzenecarboximidamide
CID 114673673
4-(5-bromo-2-fluorophenoxy)-2-methylbenzenecarboximidamide
CID 114673658
2-bromo-4-(4-bromophenoxy)-3-fluorobenzenecarboximidamide
CID 107536654
3-bromo-4-(4-methylphenoxy)benzenecarboximidamide
CID 82799325
2-bromo-4-(5-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 107279683
4-(4-bromo-2-methylphenoxy)-3,5-difluorobenzenecarboximidamide
CID 81293478

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-fluorophenoxy)benzenecarboximidamide?
The IUPAC name of 4-(4-bromo-2-fluorophenoxy)benzenecarboximidamide (CID 43123450) is 4-(4-bromo-2-fluorophenoxy)benzenecarboximidamide.
What is the SMILES notation for 4-(4-bromo-2-fluorophenoxy)benzenecarboximidamide?
The canonical SMILES for 4-(4-bromo-2-fluorophenoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2ccc(Br)cc2F)cc1.
What is the InChIKey of 4-(4-bromo-2-fluorophenoxy)benzenecarboximidamide?
The InChIKey is JGWGIOSJSVYRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O/c14-9-3-6-12(11(15)7-9)18-10-4-1-8(2-5-10)13(16)17/h1-7H,(H3,16,17).
What are the key properties of 4-(4-bromo-2-fluorophenoxy)benzenecarboximidamide?
4-(4-bromo-2-fluorophenoxy)benzenecarboximidamide has a molecular weight of 309.14 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-fluorophenoxy)benzenecarboximidamide is sourced from PubChem (CID 43123450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).