3-fluoro-4-(4-methoxyphenoxy)benzenecarboximidamide;hydrochloride

C14H14ClFN2O2 — CID 82240746

IUPAC3-fluoro-4-(4-methoxyphenoxy)benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(Oc2ccc(OC)cc2)c(F)c1
InChIInChI=1S/C14H13FN2O2.ClH/c1-18-10-3-5-11(6-4-10)19-13-7-2-9(14(16)17)8-12(13)15;/h2-8H,1H3,(H3,16,17);1H
InChIKeyDITNOJCHXHPYAI-UHFFFAOYSA-N
MW296.73 g/mol
LogP3.33
Rot. Bonds4

About 3-fluoro-4-(4-methoxyphenoxy)benzenecarboximidamide;hydrochloride

3-fluoro-4-(4-methoxyphenoxy)benzenecarboximidamide;hydrochloride (PubChem CID 82240746) has the molecular formula C14H14ClFN2O2 and a molecular weight of 296.73 g/mol. Its IUPAC name is 3-fluoro-4-(4-methoxyphenoxy)benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name3-fluoro-4-(4-methoxyphenoxy)benzenecarboximidamide;hydrochloride
PubChem CID82240746
Molecular FormulaC14H14ClFN2O2
Molecular Weight296.73 g/mol
Exact Mass296.07
IUPAC Name3-fluoro-4-(4-methoxyphenoxy)benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(Oc2ccc(OC)cc2)c(F)c1
InChIInChI=1S/C14H13FN2O2.ClH/c1-18-10-3-5-11(6-4-10)19-13-7-2-9(14(16)17)8-12(13)15;/h2-8H,1H3,(H3,16,17);1H
InChIKeyDITNOJCHXHPYAI-UHFFFAOYSA-N
XLogP3.33
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.73
LogP ≤ 53.33
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

4-(4-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 43123450
3-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 107666555
6-methoxynaphthalene-2-carboximidamide
CID 3274917
3-fluoro-4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzenecarboximidamide
CID 107743283
3-fluoro-4-(2-fluoro-3-methylphenoxy)benzenecarboximidamide
CID 107658516
3-fluoro-4-(2-methylpropoxy)benzenecarboximidamide;hydrochloride
CID 82253205
4-(2-ethylphenoxy)-3-fluorobenzenecarboximidamide
CID 43658562
3-bromo-4-(4-bromo-3-fluorophenoxy)benzenecarboximidamide
CID 82799032
4-chloro-2-(4-methoxyphenoxy)benzenecarboximidamide
CID 63093186
3-bromo-4-(4-methylphenoxy)benzenecarboximidamide
CID 82799325
3-bromo-4-(3-methoxyphenoxy)benzenecarboximidamide
CID 82799441
2-(4-bromo-2-fluorophenoxy)-4-methoxybenzenecarboximidamide
CID 81303138

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(4-methoxyphenoxy)benzenecarboximidamide;hydrochloride?
The IUPAC name of 3-fluoro-4-(4-methoxyphenoxy)benzenecarboximidamide;hydrochloride (CID 82240746) is 3-fluoro-4-(4-methoxyphenoxy)benzenecarboximidamide;hydrochloride.
What is the SMILES notation for 3-fluoro-4-(4-methoxyphenoxy)benzenecarboximidamide;hydrochloride?
The canonical SMILES for 3-fluoro-4-(4-methoxyphenoxy)benzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc(Oc2ccc(OC)cc2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(4-methoxyphenoxy)benzenecarboximidamide;hydrochloride?
The InChIKey is DITNOJCHXHPYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2.ClH/c1-18-10-3-5-11(6-4-10)19-13-7-2-9(14(16)17)8-12(13)15;/h2-8H,1H3,(H3,16,17);1H.
What are the key properties of 3-fluoro-4-(4-methoxyphenoxy)benzenecarboximidamide;hydrochloride?
3-fluoro-4-(4-methoxyphenoxy)benzenecarboximidamide;hydrochloride has a molecular weight of 296.73 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(4-methoxyphenoxy)benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 82240746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).