2-(4-bromo-2-fluorophenoxy)-4-chlorobenzenecarboximidamide

C13H9BrClFN2O — CID 63093540

IUPAC2-(4-bromo-2-fluorophenoxy)-4-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1Oc1ccc(Br)cc1F
InChIInChI=1S/C13H9BrClFN2O/c14-7-1-4-11(10(16)5-7)19-12-6-8(15)2-3-9(12)13(17)18/h1-6H,(H3,17,18)
InChIKeyXJICSRLOQYOTEY-UHFFFAOYSA-N
MW343.58 g/mol
LogP4.32
Rot. Bonds3

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

2-(4-bromo-2-fluorophenoxy)-4-chlorobenzenecarboximidamide (PubChem CID 63093540) has the molecular formula C13H9BrClFN2O and a molecular weight of 343.58 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-4-chlorobenzenecarboximidamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-4-chlorobenzenecarboximidamide
PubChem CID63093540
Molecular FormulaC13H9BrClFN2O
Molecular Weight343.58 g/mol
Exact Mass341.96
IUPAC Name2-(4-bromo-2-fluorophenoxy)-4-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1Oc1ccc(Br)cc1F
InChIInChI=1S/C13H9BrClFN2O/c14-7-1-4-11(10(16)5-7)19-12-6-8(15)2-3-9(12)13(17)18/h1-6H,(H3,17,18)
InChIKeyXJICSRLOQYOTEY-UHFFFAOYSA-N
XLogP4.32
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.58
LogP ≤ 54.32
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-(4-bromo-2-fluorophenoxy)-4-methoxybenzenecarboximidamide
CID 81303138
2-bromo-4-(4-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 107279544
4-bromo-2-(4-chloro-2-nitrophenoxy)benzenecarboximidamide
CID 114904854
4-chloro-2-(2-fluoro-5-methylphenoxy)benzenecarboximidamide
CID 64855794
4-chloro-2-(3-chloro-4-fluorophenoxy)benzenecarboximidamide
CID 55257647
4-(4-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 43123450
4-(5-bromo-2-fluorophenoxy)-3-chlorobenzenecarboximidamide
CID 114673673
4-chloro-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 63093366
4-chloro-2-methoxybenzenecarboximidamide
CID 63093709
4-chloro-2-(4-methoxyphenoxy)benzenecarboximidamide
CID 63093186
4-chloro-2-(3,5-dimethoxyphenoxy)benzenecarboximidamide
CID 63094563
4-chloro-2-(2-ethoxyphenoxy)benzenecarboximidamide
CID 63092515

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-4-chlorobenzenecarboximidamide?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-4-chlorobenzenecarboximidamide (CID 63093540) is 2-(4-bromo-2-fluorophenoxy)-4-chlorobenzenecarboximidamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-4-chlorobenzenecarboximidamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-4-chlorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)cc1Oc1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-4-chlorobenzenecarboximidamide?
The InChIKey is XJICSRLOQYOTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFN2O/c14-7-1-4-11(10(16)5-7)19-12-6-8(15)2-3-9(12)13(17)18/h1-6H,(H3,17,18).
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-4-chlorobenzenecarboximidamide?
2-(4-bromo-2-fluorophenoxy)-4-chlorobenzenecarboximidamide has a molecular weight of 343.58 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-4-chlorobenzenecarboximidamide is sourced from PubChem (CID 63093540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).