5-fluoro-N'-hydroxy-2-(phenoxymethyl)benzenecarboximidamide

C14H13FN2O2 — CID 76994491

IUPAC5-fluoro-N'-hydroxy-2-(phenoxymethyl)benzenecarboximidamide
SMILESNC(=NO)c1cc(F)ccc1COc1ccccc1
InChIInChI=1S/C14H13FN2O2/c15-11-7-6-10(13(8-11)14(16)17-18)9-19-12-4-2-1-3-5-12/h1-8,18H,9H2,(H2,16,17)
InChIKeyQZVPMIAGRHRBTF-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.50
Rot. Bonds4

About 5-fluoro-N'-hydroxy-2-(phenoxymethyl)benzenecarboximidamide

5-fluoro-N'-hydroxy-2-(phenoxymethyl)benzenecarboximidamide (PubChem CID 76994491) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 5-fluoro-N'-hydroxy-2-(phenoxymethyl)benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-N'-hydroxy-2-(phenoxymethyl)benzenecarboximidamide
PubChem CID76994491
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name5-fluoro-N'-hydroxy-2-(phenoxymethyl)benzenecarboximidamide
SMILESNC(=NO)c1cc(F)ccc1COc1ccccc1
InChIInChI=1S/C14H13FN2O2/c15-11-7-6-10(13(8-11)14(16)17-18)9-19-12-4-2-1-3-5-12/h1-8,18H,9H2,(H2,16,17)
InChIKeyQZVPMIAGRHRBTF-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

2-[(3-bromo-5-fluorophenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 81314094
2-[(4-chloro-3-fluorophenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 82718062
5-fluoro-2-[(2-fluorophenyl)methoxymethyl]-N'-hydroxybenzenecarboximidamide
CID 77013703
3-fluoro-N'-hydroxy-4-(phenoxymethyl)benzenecarboximidamide
CID 24708255
5-fluoro-N'-hydroxy-2-(2-methoxyethoxymethyl)benzenecarboximidamide
CID 76994379
2-[(3-bromo-5-fluorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 81332303
2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24692111
2-[(2-chloro-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 43185462
5-fluoro-N'-hydroxy-2-(2-methylpropoxymethyl)benzenecarboximidamide
CID 55171941
2-[(2-bromo-4-chlorophenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 76994227
5-fluoro-N'-hydroxy-2-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide
CID 76994345
2-(2-cyclopropylethoxymethyl)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 114157515

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N'-hydroxy-2-(phenoxymethyl)benzenecarboximidamide?
The IUPAC name of 5-fluoro-N'-hydroxy-2-(phenoxymethyl)benzenecarboximidamide (CID 76994491) is 5-fluoro-N'-hydroxy-2-(phenoxymethyl)benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-N'-hydroxy-2-(phenoxymethyl)benzenecarboximidamide?
The canonical SMILES for 5-fluoro-N'-hydroxy-2-(phenoxymethyl)benzenecarboximidamide is NC(=NO)c1cc(F)ccc1COc1ccccc1.
What is the InChIKey of 5-fluoro-N'-hydroxy-2-(phenoxymethyl)benzenecarboximidamide?
The InChIKey is QZVPMIAGRHRBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c15-11-7-6-10(13(8-11)14(16)17-18)9-19-12-4-2-1-3-5-12/h1-8,18H,9H2,(H2,16,17).
What are the key properties of 5-fluoro-N'-hydroxy-2-(phenoxymethyl)benzenecarboximidamide?
5-fluoro-N'-hydroxy-2-(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 5-fluoro-N'-hydroxy-2-(phenoxymethyl)benzenecarboximidamide is sourced from PubChem (CID 76994491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).