2-bromo-3-fluoro-4-(2-methoxyphenoxy)benzenecarboximidamide

C14H12BrFN2O2 — CID 107536667

IUPAC2-bromo-3-fluoro-4-(2-methoxyphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccccc2OC)c(F)c1Br
InChIInChI=1S/C14H12BrFN2O2/c1-19-9-4-2-3-5-10(9)20-11-7-6-8(14(17)18)12(15)13(11)16/h2-7H,1H3,(H3,17,18)
InChIKeyIJYVEDJCQLAXQT-UHFFFAOYSA-N
MW339.16 g/mol
LogP3.67
Rot. Bonds4

About 2-bromo-3-fluoro-4-(2-methoxyphenoxy)benzenecarboximidamide

2-bromo-3-fluoro-4-(2-methoxyphenoxy)benzenecarboximidamide (PubChem CID 107536667) has the molecular formula C14H12BrFN2O2 and a molecular weight of 339.16 g/mol. Its IUPAC name is 2-bromo-3-fluoro-4-(2-methoxyphenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-3-fluoro-4-(2-methoxyphenoxy)benzenecarboximidamide
PubChem CID107536667
Molecular FormulaC14H12BrFN2O2
Molecular Weight339.16 g/mol
Exact Mass338.01
IUPAC Name2-bromo-3-fluoro-4-(2-methoxyphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccccc2OC)c(F)c1Br
InChIInChI=1S/C14H12BrFN2O2/c1-19-9-4-2-3-5-10(9)20-11-7-6-8(14(17)18)12(15)13(11)16/h2-7H,1H3,(H3,17,18)
InChIKeyIJYVEDJCQLAXQT-UHFFFAOYSA-N
XLogP3.67
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-3-fluoro-4-methoxybenzenecarboximidamide
CID 107536678
2-bromo-3-fluoro-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 107536673
2-bromo-3-fluoro-4-(4-fluorophenoxy)benzenecarboximidamide
CID 107536662
2-bromo-3-fluoro-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 107537085
2-bromo-4-(4-bromophenoxy)-3-fluorobenzenecarboximidamide
CID 107536654
2-(2-methoxyphenoxy)benzenecarboximidamide
CID 28601438
2-bromo-4-(3-bromo-4-fluorophenoxy)-3-fluorobenzenecarboximidamide
CID 107536819
2-bromo-3-fluoro-4-(4-methylsulfanylphenoxy)benzenecarboximidamide
CID 107536782
2-bromo-3-fluoro-4-(3-methoxypropoxy)benzenecarboximidamide
CID 107536748
2-bromo-4-(3-ethoxyphenoxy)-3-fluorobenzenecarboximidamide
CID 107536771
2-bromo-3-fluoro-4-(2-hydroxyethoxy)benzenecarboximidamide
CID 107536715
2-bromo-3-fluoro-4-(3-hydroxypropoxy)benzenecarboximidamide
CID 107536735

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-fluoro-4-(2-methoxyphenoxy)benzenecarboximidamide?
The IUPAC name of 2-bromo-3-fluoro-4-(2-methoxyphenoxy)benzenecarboximidamide (CID 107536667) is 2-bromo-3-fluoro-4-(2-methoxyphenoxy)benzenecarboximidamide.
What is the SMILES notation for 2-bromo-3-fluoro-4-(2-methoxyphenoxy)benzenecarboximidamide?
The canonical SMILES for 2-bromo-3-fluoro-4-(2-methoxyphenoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2ccccc2OC)c(F)c1Br.
What is the InChIKey of 2-bromo-3-fluoro-4-(2-methoxyphenoxy)benzenecarboximidamide?
The InChIKey is IJYVEDJCQLAXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O2/c1-19-9-4-2-3-5-10(9)20-11-7-6-8(14(17)18)12(15)13(11)16/h2-7H,1H3,(H3,17,18).
What are the key properties of 2-bromo-3-fluoro-4-(2-methoxyphenoxy)benzenecarboximidamide?
2-bromo-3-fluoro-4-(2-methoxyphenoxy)benzenecarboximidamide has a molecular weight of 339.16 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluoro-4-(2-methoxyphenoxy)benzenecarboximidamide is sourced from PubChem (CID 107536667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).