2-bromo-4-(3-bromo-4-fluorophenoxy)-3-fluorobenzenecarboximidamide

C13H8Br2F2N2O — CID 107536819

IUPAC2-bromo-4-(3-bromo-4-fluorophenoxy)-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(F)c(Br)c2)c(F)c1Br
InChIInChI=1S/C13H8Br2F2N2O/c14-8-5-6(1-3-9(8)16)20-10-4-2-7(13(18)19)11(15)12(10)17/h1-5H,(H3,18,19)
InChIKeyJBINDXGQMPLXPJ-UHFFFAOYSA-N
MW406.02 g/mol
LogP4.57
Rot. Bonds3

About 2-bromo-4-(3-bromo-4-fluorophenoxy)-3-fluorobenzenecarboximidamide

2-bromo-4-(3-bromo-4-fluorophenoxy)-3-fluorobenzenecarboximidamide (PubChem CID 107536819) has the molecular formula C13H8Br2F2N2O and a molecular weight of 406.02 g/mol. Its IUPAC name is 2-bromo-4-(3-bromo-4-fluorophenoxy)-3-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-4-(3-bromo-4-fluorophenoxy)-3-fluorobenzenecarboximidamide
PubChem CID107536819
Molecular FormulaC13H8Br2F2N2O
Molecular Weight406.02 g/mol
Exact Mass403.90
IUPAC Name2-bromo-4-(3-bromo-4-fluorophenoxy)-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(F)c(Br)c2)c(F)c1Br
InChIInChI=1S/C13H8Br2F2N2O/c14-8-5-6(1-3-9(8)16)20-10-4-2-7(13(18)19)11(15)12(10)17/h1-5H,(H3,18,19)
InChIKeyJBINDXGQMPLXPJ-UHFFFAOYSA-N
XLogP4.57
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.02
LogP ≤ 54.57
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-bromophenoxy)-3-fluorobenzenecarboximidamide
CID 107536654
2-bromo-3-fluoro-4-(4-fluorophenoxy)benzenecarboximidamide
CID 107536662
2-bromo-3-fluoro-4-(4-methylsulfanylphenoxy)benzenecarboximidamide
CID 107536782
2-bromo-4-(3-ethoxyphenoxy)-3-fluorobenzenecarboximidamide
CID 107536771
2-bromo-4-(4-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 107279544
2-bromo-4-(5-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 107279683
2-bromo-3-fluoro-4-methoxybenzenecarboximidamide
CID 107536678
2-bromo-4-[(5-bromo-3-pyridinyl)oxy]-3-fluorobenzenecarboximidamide
CID 107536790
2-bromo-3-fluoro-4-(2-methoxyphenoxy)benzenecarboximidamide
CID 107536667
2-bromo-3-fluoro-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 107536673
2-bromo-4-(3-chloro-4-fluorophenoxy)benzenecarboximidamide
CID 107279626
3-(3-bromo-4-fluorophenoxy)pyridine-2-carboximidamide
CID 83234285

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(3-bromo-4-fluorophenoxy)-3-fluorobenzenecarboximidamide?
The IUPAC name of 2-bromo-4-(3-bromo-4-fluorophenoxy)-3-fluorobenzenecarboximidamide (CID 107536819) is 2-bromo-4-(3-bromo-4-fluorophenoxy)-3-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-bromo-4-(3-bromo-4-fluorophenoxy)-3-fluorobenzenecarboximidamide?
The canonical SMILES for 2-bromo-4-(3-bromo-4-fluorophenoxy)-3-fluorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2ccc(F)c(Br)c2)c(F)c1Br.
What is the InChIKey of 2-bromo-4-(3-bromo-4-fluorophenoxy)-3-fluorobenzenecarboximidamide?
The InChIKey is JBINDXGQMPLXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2F2N2O/c14-8-5-6(1-3-9(8)16)20-10-4-2-7(13(18)19)11(15)12(10)17/h1-5H,(H3,18,19).
What are the key properties of 2-bromo-4-(3-bromo-4-fluorophenoxy)-3-fluorobenzenecarboximidamide?
2-bromo-4-(3-bromo-4-fluorophenoxy)-3-fluorobenzenecarboximidamide has a molecular weight of 406.02 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(3-bromo-4-fluorophenoxy)-3-fluorobenzenecarboximidamide is sourced from PubChem (CID 107536819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).