3-fluoro-N'-hydroxy-4-(phenoxymethyl)benzenecarboximidamide

C14H13FN2O2 — CID 24708255

IUPAC3-fluoro-N'-hydroxy-4-(phenoxymethyl)benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(COc2ccccc2)c(F)c1
InChIInChI=1S/C14H13FN2O2/c15-13-8-10(14(16)17-18)6-7-11(13)9-19-12-4-2-1-3-5-12/h1-8,18H,9H2,(H2,16,17)
InChIKeyALWCUNAOFUERME-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.50
Rot. Bonds4

About 3-fluoro-N'-hydroxy-4-(phenoxymethyl)benzenecarboximidamide

3-fluoro-N'-hydroxy-4-(phenoxymethyl)benzenecarboximidamide (PubChem CID 24708255) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-4-(phenoxymethyl)benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-4-(phenoxymethyl)benzenecarboximidamide
PubChem CID24708255
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name3-fluoro-N'-hydroxy-4-(phenoxymethyl)benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(COc2ccccc2)c(F)c1
InChIInChI=1S/C14H13FN2O2/c15-13-8-10(14(16)17-18)6-7-11(13)9-19-12-4-2-1-3-5-12/h1-8,18H,9H2,(H2,16,17)
InChIKeyALWCUNAOFUERME-UHFFFAOYSA-N
XLogP2.50
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.50
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(3,4-difluorophenoxy)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43554799
4-[(3,5-dimethylphenoxy)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43185385
3-fluoro-4-(phenoxymethyl)benzenecarboximidamide;dihydrochloride
CID 175793778
5-fluoro-N'-hydroxy-2-(phenoxymethyl)benzenecarboximidamide
CID 76994491
3-fluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide
CID 50941129
3-fluoro-N'-hydroxy-4-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide
CID 24708972
4-(2,2-difluoroethoxymethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 82005290
3-fluoro-4-(2-phenoxyethoxymethyl)benzenecarbothioamide
CID 29289431
3-fluoro-N'-hydroxy-4-(3,3,3-trifluoropropoxymethyl)benzenecarboximidamide
CID 82955096
4-[(4-chlorophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114483201
3-fluoro-N'-hydroxy-4-(2-methylbutan-2-yloxymethyl)benzenecarboximidamide
CID 43128405
4-[(4-bromophenyl)methoxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 82805765

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-hydroxy-4-(phenoxymethyl)benzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-4-(phenoxymethyl)benzenecarboximidamide (CID 24708255) is 3-fluoro-N'-hydroxy-4-(phenoxymethyl)benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-4-(phenoxymethyl)benzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-4-(phenoxymethyl)benzenecarboximidamide is N/C(=N\O)c1ccc(COc2ccccc2)c(F)c1.
What is the InChIKey of 3-fluoro-N'-hydroxy-4-(phenoxymethyl)benzenecarboximidamide?
The InChIKey is ALWCUNAOFUERME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c15-13-8-10(14(16)17-18)6-7-11(13)9-19-12-4-2-1-3-5-12/h1-8,18H,9H2,(H2,16,17).
What are the key properties of 3-fluoro-N'-hydroxy-4-(phenoxymethyl)benzenecarboximidamide?
3-fluoro-N'-hydroxy-4-(phenoxymethyl)benzenecarboximidamide has a molecular weight of 260.27 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-hydroxy-4-(phenoxymethyl)benzenecarboximidamide is sourced from PubChem (CID 24708255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).