5-fluoro-N'-hydroxy-2-(3-methoxyphenoxy)benzenecarboximidamide

C14H13FN2O3 — CID 77004508

IUPAC5-fluoro-N'-hydroxy-2-(3-methoxyphenoxy)benzenecarboximidamide
SMILESCOc1cccc(Oc2ccc(F)cc2C(N)=NO)c1
InChIInChI=1S/C14H13FN2O3/c1-19-10-3-2-4-11(8-10)20-13-6-5-9(15)7-12(13)14(16)17-18/h2-8,18H,1H3,(H2,16,17)
InChIKeyQKRFWAZWTRYLIX-UHFFFAOYSA-N
MW276.27 g/mol
LogP2.72
Rot. Bonds4

About 5-fluoro-N'-hydroxy-2-(3-methoxyphenoxy)benzenecarboximidamide

5-fluoro-N'-hydroxy-2-(3-methoxyphenoxy)benzenecarboximidamide (PubChem CID 77004508) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is 5-fluoro-N'-hydroxy-2-(3-methoxyphenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-N'-hydroxy-2-(3-methoxyphenoxy)benzenecarboximidamide
PubChem CID77004508
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name5-fluoro-N'-hydroxy-2-(3-methoxyphenoxy)benzenecarboximidamide
SMILESCOc1cccc(Oc2ccc(F)cc2C(N)=NO)c1
InChIInChI=1S/C14H13FN2O3/c1-19-10-3-2-4-11(8-10)20-13-6-5-9(15)7-12(13)14(16)17-18/h2-8,18H,1H3,(H2,16,17)
InChIKeyQKRFWAZWTRYLIX-UHFFFAOYSA-N
XLogP2.72
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-fluoro-N'-hydroxy-2-(3-methoxyphenoxy)benzenecarboximidamide 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

2-(3,5-dimethylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004432
2-(4-chloro-3-methylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004510
2-(3-chloro-4-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77010316
2-(3-bromo-5-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 81331722
2-(3,5-dimethoxyphenoxy)-5-fluorobenzenecarbothioamide
CID 63675108
2-(2-bromophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004436
2-(2-chlorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 55232502
N'-hydroxy-2-(4-methoxyphenoxy)benzenecarboximidamide
CID 43199994
2-(3-bromophenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 81303583
4-chloro-2-(3-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 55182535
5-fluoro-N'-hydroxy-2-(2,3,5-trimethylphenoxy)benzenecarboximidamide
CID 77004548
2-(2-chloro-4-methylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004117

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N'-hydroxy-2-(3-methoxyphenoxy)benzenecarboximidamide?
The IUPAC name of 5-fluoro-N'-hydroxy-2-(3-methoxyphenoxy)benzenecarboximidamide (CID 77004508) is 5-fluoro-N'-hydroxy-2-(3-methoxyphenoxy)benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-N'-hydroxy-2-(3-methoxyphenoxy)benzenecarboximidamide?
The canonical SMILES for 5-fluoro-N'-hydroxy-2-(3-methoxyphenoxy)benzenecarboximidamide is COc1cccc(Oc2ccc(F)cc2C(N)=NO)c1.
What is the InChIKey of 5-fluoro-N'-hydroxy-2-(3-methoxyphenoxy)benzenecarboximidamide?
The InChIKey is QKRFWAZWTRYLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-19-10-3-2-4-11(8-10)20-13-6-5-9(15)7-12(13)14(16)17-18/h2-8,18H,1H3,(H2,16,17).
What are the key properties of 5-fluoro-N'-hydroxy-2-(3-methoxyphenoxy)benzenecarboximidamide?
5-fluoro-N'-hydroxy-2-(3-methoxyphenoxy)benzenecarboximidamide has a molecular weight of 276.27 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N'-hydroxy-2-(3-methoxyphenoxy)benzenecarboximidamide is sourced from PubChem (CID 77004508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).