3-bromo-4-(4-bromo-3-fluorophenoxy)benzenecarboximidamide

C13H9Br2FN2O — CID 82799032

IUPAC3-bromo-4-(4-bromo-3-fluorophenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(Br)c(F)c2)c(Br)c1
InChIInChI=1S/C13H9Br2FN2O/c14-9-3-2-8(6-11(9)16)19-12-4-1-7(13(17)18)5-10(12)15/h1-6H,(H3,17,18)
InChIKeyBXAAJFRLJRHEFF-UHFFFAOYSA-N
MW388.03 g/mol
LogP4.43
Rot. Bonds3

About 3-bromo-4-(4-bromo-3-fluorophenoxy)benzenecarboximidamide

3-bromo-4-(4-bromo-3-fluorophenoxy)benzenecarboximidamide (PubChem CID 82799032) has the molecular formula C13H9Br2FN2O and a molecular weight of 388.03 g/mol. Its IUPAC name is 3-bromo-4-(4-bromo-3-fluorophenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name3-bromo-4-(4-bromo-3-fluorophenoxy)benzenecarboximidamide
PubChem CID82799032
Molecular FormulaC13H9Br2FN2O
Molecular Weight388.03 g/mol
Exact Mass385.91
IUPAC Name3-bromo-4-(4-bromo-3-fluorophenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(Br)c(F)c2)c(Br)c1
InChIInChI=1S/C13H9Br2FN2O/c14-9-3-2-8(6-11(9)16)19-12-4-1-7(13(17)18)5-10(12)15/h1-6H,(H3,17,18)
InChIKeyBXAAJFRLJRHEFF-UHFFFAOYSA-N
XLogP4.43
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.03
LogP ≤ 54.43
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

3-bromo-4-(3,4-dichlorophenoxy)benzenecarboximidamide
CID 82799447
3-bromo-4-(4-methylphenoxy)benzenecarboximidamide
CID 82799325
3-bromo-4-(3-methoxyphenoxy)benzenecarboximidamide
CID 82799441
1-[3-bromo-4-(4-bromo-3-fluorophenoxy)phenyl]ethanone
CID 65201166
3-bromo-4-(4-methylsulfonylphenoxy)benzenecarboximidamide
CID 82787062
3-bromo-4-(4-nitrophenoxy)benzenecarboximidamide
CID 82799547
4-(4-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 43123450
3-bromo-4-[(5-bromo-3-pyridinyl)oxy]benzenecarboximidamide
CID 82799770
3-bromo-4-(2,4,5-trichlorophenoxy)benzenecarboximidamide
CID 82799225
4-(4-bromo-3-fluorophenoxy)-2-chlorobenzenecarboximidamide
CID 65203810
3-fluoro-4-(4-methoxyphenoxy)benzenecarboximidamide;hydrochloride
CID 82240746
3-bromo-4-[(2-methylpropan-2-yl)oxy]benzenecarboximidamide
CID 82799228

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(4-bromo-3-fluorophenoxy)benzenecarboximidamide?
The IUPAC name of 3-bromo-4-(4-bromo-3-fluorophenoxy)benzenecarboximidamide (CID 82799032) is 3-bromo-4-(4-bromo-3-fluorophenoxy)benzenecarboximidamide.
What is the SMILES notation for 3-bromo-4-(4-bromo-3-fluorophenoxy)benzenecarboximidamide?
The canonical SMILES for 3-bromo-4-(4-bromo-3-fluorophenoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2ccc(Br)c(F)c2)c(Br)c1.
What is the InChIKey of 3-bromo-4-(4-bromo-3-fluorophenoxy)benzenecarboximidamide?
The InChIKey is BXAAJFRLJRHEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2FN2O/c14-9-3-2-8(6-11(9)16)19-12-4-1-7(13(17)18)5-10(12)15/h1-6H,(H3,17,18).
What are the key properties of 3-bromo-4-(4-bromo-3-fluorophenoxy)benzenecarboximidamide?
3-bromo-4-(4-bromo-3-fluorophenoxy)benzenecarboximidamide has a molecular weight of 388.03 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(4-bromo-3-fluorophenoxy)benzenecarboximidamide is sourced from PubChem (CID 82799032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).