4-(5-bromo-2-fluorophenoxy)-3-chlorobenzenecarboximidamide

C13H9BrClFN2O — CID 114673673

IUPAC4-(5-bromo-2-fluorophenoxy)-3-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cc(Br)ccc2F)c(Cl)c1
InChIInChI=1S/C13H9BrClFN2O/c14-8-2-3-10(16)12(6-8)19-11-4-1-7(13(17)18)5-9(11)15/h1-6H,(H3,17,18)
InChIKeyMNDJMIJNVATLFO-UHFFFAOYSA-N
MW343.58 g/mol
LogP4.32
Rot. Bonds3

About 4-(5-bromo-2-fluorophenoxy)-3-chlorobenzenecarboximidamide

4-(5-bromo-2-fluorophenoxy)-3-chlorobenzenecarboximidamide (PubChem CID 114673673) has the molecular formula C13H9BrClFN2O and a molecular weight of 343.58 g/mol. Its IUPAC name is 4-(5-bromo-2-fluorophenoxy)-3-chlorobenzenecarboximidamide.

Molecular Properties

Compound Name4-(5-bromo-2-fluorophenoxy)-3-chlorobenzenecarboximidamide
PubChem CID114673673
Molecular FormulaC13H9BrClFN2O
Molecular Weight343.58 g/mol
Exact Mass341.96
IUPAC Name4-(5-bromo-2-fluorophenoxy)-3-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cc(Br)ccc2F)c(Cl)c1
InChIInChI=1S/C13H9BrClFN2O/c14-8-2-3-10(16)12(6-8)19-11-4-1-7(13(17)18)5-9(11)15/h1-6H,(H3,17,18)
InChIKeyMNDJMIJNVATLFO-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

4-(5-bromo-2,3-difluorophenoxy)-3-chlorobenzenecarboximidamide
CID 107099791
4-(5-bromo-2-methylphenoxy)-3-chlorobenzenecarboximidamide
CID 107284677
3-chloro-4-(3,5-difluorophenoxy)benzenecarboximidamide
CID 63086917
3-bromo-4-(2,4,5-trichlorophenoxy)benzenecarboximidamide
CID 82799225
4-(4-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 43123450
2-(4-bromo-2-fluorophenoxy)-4-chlorobenzenecarboximidamide
CID 63093540
3-chloro-4-(2,3,5-trimethylphenoxy)benzenecarboximidamide
CID 63087416
4-(5-bromo-2-fluorophenoxy)-2-methylbenzenecarboximidamide
CID 114673658
2-(4-bromo-2-fluorophenoxy)pyridine-4-carboximidamide
CID 43123451
2-bromo-4-(5-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 107279683
3-chloro-4-(4-propan-2-ylphenoxy)benzenecarboximidamide
CID 63087240
4-[(4-bromo-2-chlorophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483738

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-fluorophenoxy)-3-chlorobenzenecarboximidamide?
The IUPAC name of 4-(5-bromo-2-fluorophenoxy)-3-chlorobenzenecarboximidamide (CID 114673673) is 4-(5-bromo-2-fluorophenoxy)-3-chlorobenzenecarboximidamide.
What is the SMILES notation for 4-(5-bromo-2-fluorophenoxy)-3-chlorobenzenecarboximidamide?
The canonical SMILES for 4-(5-bromo-2-fluorophenoxy)-3-chlorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2cc(Br)ccc2F)c(Cl)c1.
What is the InChIKey of 4-(5-bromo-2-fluorophenoxy)-3-chlorobenzenecarboximidamide?
The InChIKey is MNDJMIJNVATLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFN2O/c14-8-2-3-10(16)12(6-8)19-11-4-1-7(13(17)18)5-9(11)15/h1-6H,(H3,17,18).
What are the key properties of 4-(5-bromo-2-fluorophenoxy)-3-chlorobenzenecarboximidamide?
4-(5-bromo-2-fluorophenoxy)-3-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-(5-bromo-2-fluorophenoxy)-3-chlorobenzenecarboximidamide is sourced from PubChem (CID 114673673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).