2-bromo-4-(5-bromo-2-fluorophenoxy)benzenecarboximidamide

C13H9Br2FN2O — CID 107279683

IUPAC2-bromo-4-(5-bromo-2-fluorophenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cc(Br)ccc2F)cc1Br
InChIInChI=1S/C13H9Br2FN2O/c14-7-1-4-11(16)12(5-7)19-8-2-3-9(13(17)18)10(15)6-8/h1-6H,(H3,17,18)
InChIKeyHBLNUYUOCUDNBR-UHFFFAOYSA-N
MW388.03 g/mol
LogP4.43
Rot. Bonds3

About 2-bromo-4-(5-bromo-2-fluorophenoxy)benzenecarboximidamide

2-bromo-4-(5-bromo-2-fluorophenoxy)benzenecarboximidamide (PubChem CID 107279683) has the molecular formula C13H9Br2FN2O and a molecular weight of 388.03 g/mol. Its IUPAC name is 2-bromo-4-(5-bromo-2-fluorophenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-4-(5-bromo-2-fluorophenoxy)benzenecarboximidamide
PubChem CID107279683
Molecular FormulaC13H9Br2FN2O
Molecular Weight388.03 g/mol
Exact Mass385.91
IUPAC Name2-bromo-4-(5-bromo-2-fluorophenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cc(Br)ccc2F)cc1Br
InChIInChI=1S/C13H9Br2FN2O/c14-7-1-4-11(16)12(5-7)19-8-2-3-9(13(17)18)10(15)6-8/h1-6H,(H3,17,18)
InChIKeyHBLNUYUOCUDNBR-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

2-bromo-4-(4-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 107279544
4-(5-bromo-2-fluorophenoxy)-2-methylbenzenecarboximidamide
CID 114673658
2-bromo-4-(3-chloro-4-fluorophenoxy)benzenecarboximidamide
CID 107279626
2-bromo-4-(3-bromo-4-fluorophenoxy)-3-fluorobenzenecarboximidamide
CID 107536819
4-bromo-2-(3-fluorophenoxy)benzenecarboximidamide
CID 114904744
2-bromo-4-[2-(trifluoromethyl)phenoxy]benzenecarboximidamide
CID 107279513
4-(2,4-dibromophenoxy)-2-methylbenzenecarboximidamide
CID 81276266
2-(4-bromo-2-fluorophenoxy)-4-methoxybenzenecarboximidamide
CID 81303138
2-bromo-4-(5-chloro-2-nitrophenoxy)benzenecarboximidamide
CID 107279610
4-(5-bromo-2-fluorophenoxy)-2-chlorobenzamide
CID 114673153
4-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 114904864
2-bromo-4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide
CID 107724642

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(5-bromo-2-fluorophenoxy)benzenecarboximidamide?
The IUPAC name of 2-bromo-4-(5-bromo-2-fluorophenoxy)benzenecarboximidamide (CID 107279683) is 2-bromo-4-(5-bromo-2-fluorophenoxy)benzenecarboximidamide.
What is the SMILES notation for 2-bromo-4-(5-bromo-2-fluorophenoxy)benzenecarboximidamide?
The canonical SMILES for 2-bromo-4-(5-bromo-2-fluorophenoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2cc(Br)ccc2F)cc1Br.
What is the InChIKey of 2-bromo-4-(5-bromo-2-fluorophenoxy)benzenecarboximidamide?
The InChIKey is HBLNUYUOCUDNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2FN2O/c14-7-1-4-11(16)12(5-7)19-8-2-3-9(13(17)18)10(15)6-8/h1-6H,(H3,17,18).
What are the key properties of 2-bromo-4-(5-bromo-2-fluorophenoxy)benzenecarboximidamide?
2-bromo-4-(5-bromo-2-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 2-bromo-4-(5-bromo-2-fluorophenoxy)benzenecarboximidamide is sourced from PubChem (CID 107279683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).