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

C13H9BrClFN2O — CID 65203810

IUPAC4-(4-bromo-3-fluorophenoxy)-2-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(Br)c(F)c2)cc1Cl
InChIInChI=1S/C13H9BrClFN2O/c14-10-4-2-8(6-12(10)16)19-7-1-3-9(13(17)18)11(15)5-7/h1-6H,(H3,17,18)
InChIKeyJLOFUDBHAAILHZ-UHFFFAOYSA-N
MW343.58 g/mol
LogP4.32
Rot. Bonds3

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

4-(4-bromo-3-fluorophenoxy)-2-chlorobenzenecarboximidamide (PubChem CID 65203810) has the molecular formula C13H9BrClFN2O and a molecular weight of 343.58 g/mol. Its IUPAC name is 4-(4-bromo-3-fluorophenoxy)-2-chlorobenzenecarboximidamide.

Molecular Properties

Compound Name4-(4-bromo-3-fluorophenoxy)-2-chlorobenzenecarboximidamide
PubChem CID65203810
Molecular FormulaC13H9BrClFN2O
Molecular Weight343.58 g/mol
Exact Mass341.96
IUPAC Name4-(4-bromo-3-fluorophenoxy)-2-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(Br)c(F)c2)cc1Cl
InChIInChI=1S/C13H9BrClFN2O/c14-10-4-2-8(6-12(10)16)19-7-1-3-9(13(17)18)11(15)5-7/h1-6H,(H3,17,18)
InChIKeyJLOFUDBHAAILHZ-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-bromo-4-(3-chloro-4-fluorophenoxy)benzenecarboximidamide
CID 107279626
4-(4-bromo-3-methylphenoxy)-2-chlorobenzenecarboximidamide
CID 83140790
2-chloro-4-phenoxybenzenecarboximidamide
CID 62947206
4-chloro-2-(3-chloro-4-fluorophenoxy)benzenecarboximidamide
CID 55257647
2-bromo-4-(4-chloro-3-methylphenoxy)benzenecarboximidamide
CID 107279532
3-bromo-4-(4-bromo-3-fluorophenoxy)benzenecarboximidamide
CID 82799032
4-[2-(4-bromophenoxy)ethoxy]-2-chlorobenzenecarboximidamide
CID 102724594
2-chloro-4-fluorobenzenecarboximidamide
CID 3626359
4-[(2-bromo-5-methoxyphenyl)methoxy]-2-chlorobenzenecarboximidamide
CID 102724538
2-bromo-4-(5-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 107279683
2-bromo-4-(4-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 107279544
2-bromo-4-(3-bromo-4-fluorophenoxy)-3-fluorobenzenecarboximidamide
CID 107536819

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-fluorophenoxy)-2-chlorobenzenecarboximidamide?
The IUPAC name of 4-(4-bromo-3-fluorophenoxy)-2-chlorobenzenecarboximidamide (CID 65203810) is 4-(4-bromo-3-fluorophenoxy)-2-chlorobenzenecarboximidamide.
What is the SMILES notation for 4-(4-bromo-3-fluorophenoxy)-2-chlorobenzenecarboximidamide?
The canonical SMILES for 4-(4-bromo-3-fluorophenoxy)-2-chlorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2ccc(Br)c(F)c2)cc1Cl.
What is the InChIKey of 4-(4-bromo-3-fluorophenoxy)-2-chlorobenzenecarboximidamide?
The InChIKey is JLOFUDBHAAILHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFN2O/c14-10-4-2-8(6-12(10)16)19-7-1-3-9(13(17)18)11(15)5-7/h1-6H,(H3,17,18).
What are the key properties of 4-(4-bromo-3-fluorophenoxy)-2-chlorobenzenecarboximidamide?
4-(4-bromo-3-fluorophenoxy)-2-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 4-(4-bromo-3-fluorophenoxy)-2-chlorobenzenecarboximidamide is sourced from PubChem (CID 65203810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).