3-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzenecarboximidamide

C15H14F2N2O2 — CID 107666555

IUPAC3-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCc2ccc(OC)cc2F)c(F)c1
InChIInChI=1S/C15H14F2N2O2/c1-20-11-4-2-10(12(16)7-11)8-21-14-5-3-9(15(18)19)6-13(14)17/h2-7H,8H2,1H3,(H3,18,19)
InChIKeyORBBDCWMXXFQSJ-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.84
Rot. Bonds5

About 3-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzenecarboximidamide

3-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzenecarboximidamide (PubChem CID 107666555) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is 3-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzenecarboximidamide
PubChem CID107666555
Molecular FormulaC15H14F2N2O2
Molecular Weight292.29 g/mol
Exact Mass292.10
IUPAC Name3-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCc2ccc(OC)cc2F)c(F)c1
InChIInChI=1S/C15H14F2N2O2/c1-20-11-4-2-10(12(16)7-11)8-21-14-5-3-9(15(18)19)6-13(14)17/h2-7H,8H2,1H3,(H3,18,19)
InChIKeyORBBDCWMXXFQSJ-UHFFFAOYSA-N
XLogP2.84
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.84
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

3-fluoro-4-[(2-methoxy-5-methylphenyl)methoxy]benzenecarboximidamide
CID 107666516
3-fluoro-4-(4-methoxyphenoxy)benzenecarboximidamide;hydrochloride
CID 82240746
3-fluoro-4-(phenoxymethyl)benzenecarboximidamide;dihydrochloride
CID 175793778
4-[(3,4-dichlorophenoxy)methyl]-3-fluorobenzenecarboximidamide
CID 61000059
4-[(2-amino-4-methoxyphenoxy)methyl]-3-fluorobenzamide
CID 24697423
4-[(2,4-difluorophenyl)methoxy]benzenecarboximidamide
CID 55045519
3-[(2-bromo-5-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide
CID 107657260
4-[(3,4-difluorophenyl)methoxy]-3-fluorobenzenecarboximidamide
CID 107666642
4-[(3,4-dimethylphenyl)methoxy]-3-fluorobenzenecarboximidamide
CID 107666681
4-[(2-chloro-6-fluorophenyl)methoxy]-3-fluorobenzenecarboximidamide
CID 82253825
3-fluoro-4-(2-methylpropoxy)benzenecarboximidamide;hydrochloride
CID 82253205
3-fluoro-4-[(3-hydroxyphenyl)methoxy]benzenecarboximidamide
CID 107666580

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzenecarboximidamide?
The IUPAC name of 3-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzenecarboximidamide (CID 107666555) is 3-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzenecarboximidamide?
The canonical SMILES for 3-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCc2ccc(OC)cc2F)c(F)c1.
What is the InChIKey of 3-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzenecarboximidamide?
The InChIKey is ORBBDCWMXXFQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c1-20-11-4-2-10(12(16)7-11)8-21-14-5-3-9(15(18)19)6-13(14)17/h2-7H,8H2,1H3,(H3,18,19).
What are the key properties of 3-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzenecarboximidamide?
3-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzenecarboximidamide has a molecular weight of 292.29 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 107666555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).