4-(3-ethoxypropoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide

C12H17FN2O3 — CID 107666346

IUPAC4-(3-ethoxypropoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCOCCCOc1ccc(/C(N)=N/O)cc1F
InChIInChI=1S/C12H17FN2O3/c1-2-17-6-3-7-18-11-5-4-9(8-10(11)13)12(14)15-16/h4-5,8,16H,2-3,6-7H2,1H3,(H2,14,15)
InChIKeyQUVUWDSTAGVUME-UHFFFAOYSA-N
MW256.28 g/mol
LogP1.73
Rot. Bonds7

About 4-(3-ethoxypropoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide

4-(3-ethoxypropoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 107666346) has the molecular formula C12H17FN2O3 and a molecular weight of 256.28 g/mol. Its IUPAC name is 4-(3-ethoxypropoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(3-ethoxypropoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID107666346
Molecular FormulaC12H17FN2O3
Molecular Weight256.28 g/mol
Exact Mass256.12
IUPAC Name4-(3-ethoxypropoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCOCCCOc1ccc(/C(N)=N/O)cc1F
InChIInChI=1S/C12H17FN2O3/c1-2-17-6-3-7-18-11-5-4-9(8-10(11)13)12(14)15-16/h4-5,8,16H,2-3,6-7H2,1H3,(H2,14,15)
InChIKeyQUVUWDSTAGVUME-UHFFFAOYSA-N
XLogP1.73
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 51.73
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'}

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Related Compounds

3-ethoxy-4-(3-ethoxypropoxy)-N'-hydroxybenzenecarboximidamide
CID 77058145
4-(4-ethoxyphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658351
4-(2-butoxyethoxy)-3-ethoxy-N'-hydroxybenzenecarboximidamide
CID 76905016
4-(cyclopentylmethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77124857
4-[2-ethoxyethyl(ethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77017437
3-fluoro-N'-hydroxy-4-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide
CID 107912481
4-[(2,6-dimethylphenyl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107666471
4-(2-ethoxyethoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 76922536
N'-hydroxy-4-(3-methoxypropoxy)-3-(trifluoromethyl)benzenecarboximidamide
CID 115468061
4-[(5-chloro-2-fluorophenyl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107666251
3-fluoro-N'-hydroxy-4-(pyridin-4-ylmethoxy)benzenecarboximidamide
CID 107666368
3-chloro-N'-hydroxy-4-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide
CID 103177820

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxypropoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-(3-ethoxypropoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide (CID 107666346) is 4-(3-ethoxypropoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-(3-ethoxypropoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-(3-ethoxypropoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide is CCOCCCOc1ccc(/C(N)=N/O)cc1F.
What is the InChIKey of 4-(3-ethoxypropoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is QUVUWDSTAGVUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3/c1-2-17-6-3-7-18-11-5-4-9(8-10(11)13)12(14)15-16/h4-5,8,16H,2-3,6-7H2,1H3,(H2,14,15).
What are the key properties of 4-(3-ethoxypropoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide?
4-(3-ethoxypropoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 256.28 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxypropoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 107666346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).