3-[(2-fluorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide

C14H13FN2O2 — CID 74312754

IUPAC3-[(2-fluorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1cccc(COc2ccccc2F)c1
InChIInChI=1S/C14H13FN2O2/c15-12-6-1-2-7-13(12)19-9-10-4-3-5-11(8-10)14(16)17-18/h1-8,18H,9H2,(H2,16,17)
InChIKeyYRGXIJQPCQVZSV-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.50
Rot. Bonds4

About 3-[(2-fluorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide

3-[(2-fluorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 74312754) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 3-[(2-fluorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-[(2-fluorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID74312754
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name3-[(2-fluorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1cccc(COc2ccccc2F)c1
InChIInChI=1S/C14H13FN2O2/c15-12-6-1-2-7-13(12)19-9-10-4-3-5-11(8-10)14(16)17-18/h1-8,18H,9H2,(H2,16,17)
InChIKeyYRGXIJQPCQVZSV-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'}

Analyze 3-[(2-fluorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-fluorophenoxy)methyl]benzenecarbothioamide
CID 24707271
3-[(2-chloro-6-fluorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 83050359
3-fluoro-N'-hydroxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 107666338
N'-hydroxy-3-[(3-methoxyphenoxy)methyl]benzenecarboximidamide
CID 24699055
3-fluoro-N'-hydroxy-4-(pyridin-4-ylmethoxy)benzenecarboximidamide
CID 107666368
3-(butan-2-yloxymethyl)-N'-hydroxybenzenecarboximidamide
CID 76883227
3-chloro-N'-hydroxy-4-phenylmethoxybenzenecarboximidamide
CID 76899274
3-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 105403778
3-fluoro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 107666373
4-[(2,6-dimethylphenyl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107666471
2-[(3-bromophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24709005
3-[(2,4-difluorophenoxy)methyl]benzenecarboximidamide
CID 24704765

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-[(2-fluorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide (CID 74312754) is 3-[(2-fluorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-[(2-fluorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-[(2-fluorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide is NC(=NO)c1cccc(COc2ccccc2F)c1.
What is the InChIKey of 3-[(2-fluorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is YRGXIJQPCQVZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c15-12-6-1-2-7-13(12)19-9-10-4-3-5-11(8-10)14(16)17-18/h1-8,18H,9H2,(H2,16,17).
What are the key properties of 3-[(2-fluorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide?
3-[(2-fluorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide 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-[(2-fluorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 74312754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).