2-bromo-4-(3-ethoxyphenoxy)-3-fluorobenzenecarboximidamide

C15H14BrFN2O2 — CID 107536771

IUPAC2-bromo-4-(3-ethoxyphenoxy)-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cccc(OCC)c2)c(F)c1Br
InChIInChI=1S/C15H14BrFN2O2/c1-2-20-9-4-3-5-10(8-9)21-12-7-6-11(15(18)19)13(16)14(12)17/h3-8H,2H2,1H3,(H3,18,19)
InChIKeyBWBYWCJMDLVJKX-UHFFFAOYSA-N
MW353.19 g/mol
LogP4.06
Rot. Bonds5

About 2-bromo-4-(3-ethoxyphenoxy)-3-fluorobenzenecarboximidamide

2-bromo-4-(3-ethoxyphenoxy)-3-fluorobenzenecarboximidamide (PubChem CID 107536771) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is 2-bromo-4-(3-ethoxyphenoxy)-3-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-4-(3-ethoxyphenoxy)-3-fluorobenzenecarboximidamide
PubChem CID107536771
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC Name2-bromo-4-(3-ethoxyphenoxy)-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cccc(OCC)c2)c(F)c1Br
InChIInChI=1S/C15H14BrFN2O2/c1-2-20-9-4-3-5-10(8-9)21-12-7-6-11(15(18)19)13(16)14(12)17/h3-8H,2H2,1H3,(H3,18,19)
InChIKeyBWBYWCJMDLVJKX-UHFFFAOYSA-N
XLogP4.06
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 54.06
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-4-(3-bromo-4-fluorophenoxy)-3-fluorobenzenecarboximidamide
CID 107536819
2-bromo-4-(4-bromophenoxy)-3-fluorobenzenecarboximidamide
CID 107536654
2-bromo-3-fluoro-4-(4-fluorophenoxy)benzenecarboximidamide
CID 107536662
4-chloro-2-(3-ethoxyphenoxy)benzenecarboximidamide
CID 63094214
2-bromo-3-fluoro-4-(2-methoxyphenoxy)benzenecarboximidamide
CID 107536667
2-bromo-3-fluoro-4-(4-methylsulfanylphenoxy)benzenecarboximidamide
CID 107536782
2-bromo-3-fluoro-4-methoxybenzenecarboximidamide
CID 107536678
2-bromo-4-[(5-bromo-3-pyridinyl)oxy]-3-fluorobenzenecarboximidamide
CID 107536790
2-bromo-3-fluoro-4-(3-methoxypropoxy)benzenecarboximidamide
CID 107536748
2-bromo-3-fluoro-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 107536673
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-4-(3-ethoxyphenoxy)-3-fluorobenzenecarboximidamide?
The IUPAC name of 2-bromo-4-(3-ethoxyphenoxy)-3-fluorobenzenecarboximidamide (CID 107536771) is 2-bromo-4-(3-ethoxyphenoxy)-3-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-bromo-4-(3-ethoxyphenoxy)-3-fluorobenzenecarboximidamide?
The canonical SMILES for 2-bromo-4-(3-ethoxyphenoxy)-3-fluorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2cccc(OCC)c2)c(F)c1Br.
What is the InChIKey of 2-bromo-4-(3-ethoxyphenoxy)-3-fluorobenzenecarboximidamide?
The InChIKey is BWBYWCJMDLVJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c1-2-20-9-4-3-5-10(8-9)21-12-7-6-11(15(18)19)13(16)14(12)17/h3-8H,2H2,1H3,(H3,18,19).
What are the key properties of 2-bromo-4-(3-ethoxyphenoxy)-3-fluorobenzenecarboximidamide?
2-bromo-4-(3-ethoxyphenoxy)-3-fluorobenzenecarboximidamide has a molecular weight of 353.19 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(3-ethoxyphenoxy)-3-fluorobenzenecarboximidamide is sourced from PubChem (CID 107536771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).