4-[(2-chloro-6-fluorophenyl)methoxy]-3-fluorobenzenecarboximidamide

C14H11ClF2N2O — CID 82253825

IUPAC4-[(2-chloro-6-fluorophenyl)methoxy]-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCc2c(F)cccc2Cl)c(F)c1
InChIInChI=1S/C14H11ClF2N2O/c15-10-2-1-3-11(16)9(10)7-20-13-5-4-8(14(18)19)6-12(13)17/h1-6H,7H2,(H3,18,19)
InChIKeyNAJCZJHDAHRRGS-UHFFFAOYSA-N
MW296.70 g/mol
LogP3.48
Rot. Bonds4

About 4-[(2-chloro-6-fluorophenyl)methoxy]-3-fluorobenzenecarboximidamide

4-[(2-chloro-6-fluorophenyl)methoxy]-3-fluorobenzenecarboximidamide (PubChem CID 82253825) has the molecular formula C14H11ClF2N2O and a molecular weight of 296.70 g/mol. Its IUPAC name is 4-[(2-chloro-6-fluorophenyl)methoxy]-3-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-[(2-chloro-6-fluorophenyl)methoxy]-3-fluorobenzenecarboximidamide
PubChem CID82253825
Molecular FormulaC14H11ClF2N2O
Molecular Weight296.70 g/mol
Exact Mass296.05
IUPAC Name4-[(2-chloro-6-fluorophenyl)methoxy]-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCc2c(F)cccc2Cl)c(F)c1
InChIInChI=1S/C14H11ClF2N2O/c15-10-2-1-3-11(16)9(10)7-20-13-5-4-8(14(18)19)6-12(13)17/h1-6H,7H2,(H3,18,19)
InChIKeyNAJCZJHDAHRRGS-UHFFFAOYSA-N
XLogP3.48
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.70
LogP ≤ 53.48
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

3-fluoro-4-[(3-hydroxyphenyl)methoxy]benzenecarboximidamide
CID 107666580
4-[(3,4-difluorophenyl)methoxy]-3-fluorobenzenecarboximidamide
CID 107666642
3-[(2,4-difluorophenoxy)methyl]benzenecarboximidamide
CID 24704765
1-chloro-2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-3-fluorobenzene
CID 107691104
3-fluoro-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 82253424
3-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 107666555
4-chloro-2-[(2,6-dichlorophenyl)methoxy]benzenecarboximidamide
CID 114323553
4-[(3,4-dimethylphenyl)methoxy]-3-fluorobenzenecarboximidamide
CID 107666681
4-[(3-chloro-2-fluorophenoxy)methyl]benzenecarboximidamide
CID 116689241
3-fluoro-4-[(4-methylsulfonylphenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253926
3-fluoro-4-(2-methylpropoxy)benzenecarboximidamide;hydrochloride
CID 82253205
4-amino-3-[(2-chloro-6-fluorophenyl)methoxy]benzoic acid
CID 61496257

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-6-fluorophenyl)methoxy]-3-fluorobenzenecarboximidamide?
The IUPAC name of 4-[(2-chloro-6-fluorophenyl)methoxy]-3-fluorobenzenecarboximidamide (CID 82253825) is 4-[(2-chloro-6-fluorophenyl)methoxy]-3-fluorobenzenecarboximidamide.
What is the SMILES notation for 4-[(2-chloro-6-fluorophenyl)methoxy]-3-fluorobenzenecarboximidamide?
The canonical SMILES for 4-[(2-chloro-6-fluorophenyl)methoxy]-3-fluorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(OCc2c(F)cccc2Cl)c(F)c1.
What is the InChIKey of 4-[(2-chloro-6-fluorophenyl)methoxy]-3-fluorobenzenecarboximidamide?
The InChIKey is NAJCZJHDAHRRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2O/c15-10-2-1-3-11(16)9(10)7-20-13-5-4-8(14(18)19)6-12(13)17/h1-6H,7H2,(H3,18,19).
What are the key properties of 4-[(2-chloro-6-fluorophenyl)methoxy]-3-fluorobenzenecarboximidamide?
4-[(2-chloro-6-fluorophenyl)methoxy]-3-fluorobenzenecarboximidamide has a molecular weight of 296.70 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-6-fluorophenyl)methoxy]-3-fluorobenzenecarboximidamide is sourced from PubChem (CID 82253825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).