5-bromo-2-(3-fluorophenoxy)benzenecarboximidamide

C13H10BrFN2O — CID 114893189

IUPAC5-bromo-2-(3-fluorophenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Br)ccc1Oc1cccc(F)c1
InChIInChI=1S/C13H10BrFN2O/c14-8-4-5-12(11(6-8)13(16)17)18-10-3-1-2-9(15)7-10/h1-7H,(H3,16,17)
InChIKeyAEKIEUBEPIUKMQ-UHFFFAOYSA-N
MW309.14 g/mol
LogP3.66
Rot. Bonds3

About 5-bromo-2-(3-fluorophenoxy)benzenecarboximidamide

5-bromo-2-(3-fluorophenoxy)benzenecarboximidamide (PubChem CID 114893189) has the molecular formula C13H10BrFN2O and a molecular weight of 309.14 g/mol. Its IUPAC name is 5-bromo-2-(3-fluorophenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name5-bromo-2-(3-fluorophenoxy)benzenecarboximidamide
PubChem CID114893189
Molecular FormulaC13H10BrFN2O
Molecular Weight309.14 g/mol
Exact Mass308.00
IUPAC Name5-bromo-2-(3-fluorophenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Br)ccc1Oc1cccc(F)c1
InChIInChI=1S/C13H10BrFN2O/c14-8-4-5-12(11(6-8)13(16)17)18-10-3-1-2-9(15)7-10/h1-7H,(H3,16,17)
InChIKeyAEKIEUBEPIUKMQ-UHFFFAOYSA-N
XLogP3.66
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.14
LogP ≤ 53.66
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-(3-bromophenoxy)-5-fluorobenzenecarboximidamide
CID 63668840
4-bromo-2-(3-fluorophenoxy)benzenecarboximidamide
CID 114904744
5-bromo-2-(3-chlorophenoxy)benzenecarboximidamide
CID 114893186
5-bromo-2-(3-fluorophenoxy)benzenecarbothioamide
CID 114892209
2-(3-bromo-5-fluorophenoxy)-5-fluorobenzenecarboximidamide
CID 81332304
5-bromo-2-(3-nitrophenoxy)benzenecarboximidamide
CID 114893291
2-(3,5-difluorophenoxy)-5-fluorobenzenecarboximidamide
CID 55233910
5-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 114893307
5-bromo-2-(4-ethoxyphenoxy)benzenecarboximidamide
CID 114893227
2-bromo-4-(4-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 107279544
5-methyl-2-(3-methylphenoxy)benzenecarboximidamide
CID 114017320
2-(3-bromophenoxy)-5-fluorobenzamide
CID 63673769

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-fluorophenoxy)benzenecarboximidamide?
The IUPAC name of 5-bromo-2-(3-fluorophenoxy)benzenecarboximidamide (CID 114893189) is 5-bromo-2-(3-fluorophenoxy)benzenecarboximidamide.
What is the SMILES notation for 5-bromo-2-(3-fluorophenoxy)benzenecarboximidamide?
The canonical SMILES for 5-bromo-2-(3-fluorophenoxy)benzenecarboximidamide is [H]/N=C(\N)c1cc(Br)ccc1Oc1cccc(F)c1.
What is the InChIKey of 5-bromo-2-(3-fluorophenoxy)benzenecarboximidamide?
The InChIKey is AEKIEUBEPIUKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O/c14-8-4-5-12(11(6-8)13(16)17)18-10-3-1-2-9(15)7-10/h1-7H,(H3,16,17).
What are the key properties of 5-bromo-2-(3-fluorophenoxy)benzenecarboximidamide?
5-bromo-2-(3-fluorophenoxy)benzenecarboximidamide has a molecular weight of 309.14 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-fluorophenoxy)benzenecarboximidamide is sourced from PubChem (CID 114893189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).