2-fluoro-N'-hydroxy-6-(2-phenoxyethoxy)benzenecarboximidamide

C15H15FN2O3 — CID 76914452

IUPAC2-fluoro-N'-hydroxy-6-(2-phenoxyethoxy)benzenecarboximidamide
SMILESNC(=NO)c1c(F)cccc1OCCOc1ccccc1
InChIInChI=1S/C15H15FN2O3/c16-12-7-4-8-13(14(12)15(17)18-19)21-10-9-20-11-5-2-1-3-6-11/h1-8,19H,9-10H2,(H2,17,18)
InChIKeyFZSFCNQFVWNCLF-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.38
Rot. Bonds6

About 2-fluoro-N'-hydroxy-6-(2-phenoxyethoxy)benzenecarboximidamide

2-fluoro-N'-hydroxy-6-(2-phenoxyethoxy)benzenecarboximidamide (PubChem CID 76914452) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-fluoro-N'-hydroxy-6-(2-phenoxyethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-N'-hydroxy-6-(2-phenoxyethoxy)benzenecarboximidamide
PubChem CID76914452
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name2-fluoro-N'-hydroxy-6-(2-phenoxyethoxy)benzenecarboximidamide
SMILESNC(=NO)c1c(F)cccc1OCCOc1ccccc1
InChIInChI=1S/C15H15FN2O3/c16-12-7-4-8-13(14(12)15(17)18-19)21-10-9-20-11-5-2-1-3-6-11/h1-8,19H,9-10H2,(H2,17,18)
InChIKeyFZSFCNQFVWNCLF-UHFFFAOYSA-N
XLogP2.38
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-6-(3-phenoxypropoxy)benzenecarbothioamide
CID 62936444
2-(2,2-difluoroethoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 115281262
2-fluoro-N'-hydroxy-6-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 74881945
2-fluoro-6-(4-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 79519799
2,6-difluoro-N'-hydroxybenzenecarboximidamide
CID 3492978
2-fluoro-N'-hydroxy-6-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 43646212
2-fluoro-N'-hydroxy-6-(thiophen-2-ylmethoxy)benzenecarboximidamide
CID 43609287
2-(4-chlorophenoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 79519262
2-fluoro-N'-hydroxy-6-propan-2-yloxybenzenecarboximidamide
CID 74881969
2-[(5-ethylthiophen-2-yl)methoxy]-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 43609289
2-[(2-chloro-4-fluorophenyl)methoxy]-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 43609277
2-fluoro-N'-hydroxy-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide
CID 79517922

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-hydroxy-6-(2-phenoxyethoxy)benzenecarboximidamide?
The IUPAC name of 2-fluoro-N'-hydroxy-6-(2-phenoxyethoxy)benzenecarboximidamide (CID 76914452) is 2-fluoro-N'-hydroxy-6-(2-phenoxyethoxy)benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-N'-hydroxy-6-(2-phenoxyethoxy)benzenecarboximidamide?
The canonical SMILES for 2-fluoro-N'-hydroxy-6-(2-phenoxyethoxy)benzenecarboximidamide is NC(=NO)c1c(F)cccc1OCCOc1ccccc1.
What is the InChIKey of 2-fluoro-N'-hydroxy-6-(2-phenoxyethoxy)benzenecarboximidamide?
The InChIKey is FZSFCNQFVWNCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c16-12-7-4-8-13(14(12)15(17)18-19)21-10-9-20-11-5-2-1-3-6-11/h1-8,19H,9-10H2,(H2,17,18).
What are the key properties of 2-fluoro-N'-hydroxy-6-(2-phenoxyethoxy)benzenecarboximidamide?
2-fluoro-N'-hydroxy-6-(2-phenoxyethoxy)benzenecarboximidamide has a molecular weight of 290.29 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-hydroxy-6-(2-phenoxyethoxy)benzenecarboximidamide is sourced from PubChem (CID 76914452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).