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

C11H15FN2O3 — CID 76994379

IUPAC5-fluoro-N'-hydroxy-2-(2-methoxyethoxymethyl)benzenecarboximidamide
SMILESCOCCOCc1ccc(F)cc1C(N)=NO
InChIInChI=1S/C11H15FN2O3/c1-16-4-5-17-7-8-2-3-9(12)6-10(8)11(13)14-15/h2-3,6,15H,4-5,7H2,1H3,(H2,13,14)
InChIKeyLOJDUUYEGFSWQV-UHFFFAOYSA-N
MW242.25 g/mol
LogP1.08
Rot. Bonds6

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

5-fluoro-N'-hydroxy-2-(2-methoxyethoxymethyl)benzenecarboximidamide (PubChem CID 76994379) has the molecular formula C11H15FN2O3 and a molecular weight of 242.25 g/mol. Its IUPAC name is 5-fluoro-N'-hydroxy-2-(2-methoxyethoxymethyl)benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-N'-hydroxy-2-(2-methoxyethoxymethyl)benzenecarboximidamide
PubChem CID76994379
Molecular FormulaC11H15FN2O3
Molecular Weight242.25 g/mol
Exact Mass242.11
IUPAC Name5-fluoro-N'-hydroxy-2-(2-methoxyethoxymethyl)benzenecarboximidamide
SMILESCOCCOCc1ccc(F)cc1C(N)=NO
InChIInChI=1S/C11H15FN2O3/c1-16-4-5-17-7-8-2-3-9(12)6-10(8)11(13)14-15/h2-3,6,15H,4-5,7H2,1H3,(H2,13,14)
InChIKeyLOJDUUYEGFSWQV-UHFFFAOYSA-N
XLogP1.08
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 51.08
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'}

Analyze 5-fluoro-N'-hydroxy-2-(2-methoxyethoxymethyl)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

5-fluoro-N'-hydroxy-2-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide
CID 76994345
5-fluoro-N'-hydroxy-2-(2-methylpropoxymethyl)benzenecarboximidamide
CID 55171941
2-[[bis(2-methoxyethyl)amino]methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 76994352
2-(2-cyclopropylethoxymethyl)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 114157515
5-fluoro-2-[(2-fluorophenyl)methoxymethyl]-N'-hydroxybenzenecarboximidamide
CID 77013703
5-fluoro-N'-hydroxy-2-[[3-methoxypropyl(methyl)amino]methyl]benzenecarboximidamide
CID 76994245
2-[[ethyl(2-methoxyethyl)amino]methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 76994528
5-fluoro-N'-hydroxy-2-(phenoxymethyl)benzenecarboximidamide
CID 76994491
2,4-difluoro-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene
CID 58214144
2-[(3-bromo-5-fluorophenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 81314094
2-bromo-4-fluoro-1-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 104564389
2-[(4-chloro-3-fluorophenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 82718062

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N'-hydroxy-2-(2-methoxyethoxymethyl)benzenecarboximidamide?
The IUPAC name of 5-fluoro-N'-hydroxy-2-(2-methoxyethoxymethyl)benzenecarboximidamide (CID 76994379) is 5-fluoro-N'-hydroxy-2-(2-methoxyethoxymethyl)benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-N'-hydroxy-2-(2-methoxyethoxymethyl)benzenecarboximidamide?
The canonical SMILES for 5-fluoro-N'-hydroxy-2-(2-methoxyethoxymethyl)benzenecarboximidamide is COCCOCc1ccc(F)cc1C(N)=NO.
What is the InChIKey of 5-fluoro-N'-hydroxy-2-(2-methoxyethoxymethyl)benzenecarboximidamide?
The InChIKey is LOJDUUYEGFSWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3/c1-16-4-5-17-7-8-2-3-9(12)6-10(8)11(13)14-15/h2-3,6,15H,4-5,7H2,1H3,(H2,13,14).
What are the key properties of 5-fluoro-N'-hydroxy-2-(2-methoxyethoxymethyl)benzenecarboximidamide?
5-fluoro-N'-hydroxy-2-(2-methoxyethoxymethyl)benzenecarboximidamide has a molecular weight of 242.25 g/mol, XLogP of 1.08, 6 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-(2-methoxyethoxymethyl)benzenecarboximidamide is sourced from PubChem (CID 76994379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).