5-fluoro-N'-hydroxy-2-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide

C13H19FN2O3 — CID 76994345

IUPAC5-fluoro-N'-hydroxy-2-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide
SMILESCC(C)OCCOCc1ccc(F)cc1C(N)=NO
InChIInChI=1S/C13H19FN2O3/c1-9(2)19-6-5-18-8-10-3-4-11(14)7-12(10)13(15)16-17/h3-4,7,9,17H,5-6,8H2,1-2H3,(H2,15,16)
InChIKeyNDCWXYSONCKKQC-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.86
Rot. Bonds7

About 5-fluoro-N'-hydroxy-2-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide

5-fluoro-N'-hydroxy-2-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide (PubChem CID 76994345) has the molecular formula C13H19FN2O3 and a molecular weight of 270.30 g/mol. Its IUPAC name is 5-fluoro-N'-hydroxy-2-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-N'-hydroxy-2-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide
PubChem CID76994345
Molecular FormulaC13H19FN2O3
Molecular Weight270.30 g/mol
Exact Mass270.14
IUPAC Name5-fluoro-N'-hydroxy-2-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide
SMILESCC(C)OCCOCc1ccc(F)cc1C(N)=NO
InChIInChI=1S/C13H19FN2O3/c1-9(2)19-6-5-18-8-10-3-4-11(14)7-12(10)13(15)16-17/h3-4,7,9,17H,5-6,8H2,1-2H3,(H2,15,16)
InChIKeyNDCWXYSONCKKQC-UHFFFAOYSA-N
XLogP1.86
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.86
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

5-fluoro-N'-hydroxy-2-(2-methoxyethoxymethyl)benzenecarboximidamide
CID 76994379
5-fluoro-N'-hydroxy-2-(2-methylpropoxymethyl)benzenecarboximidamide
CID 55171941
5-fluoro-2-(2-propan-2-yloxyethoxymethyl)benzoic acid
CID 63292747
2-(2-cyclopropylethoxymethyl)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 114157515
5-fluoro-2-[(2-fluorophenyl)methoxymethyl]-N'-hydroxybenzenecarboximidamide
CID 77013703
5-fluoro-N'-hydroxy-2-(phenoxymethyl)benzenecarboximidamide
CID 76994491
5-fluoro-N'-hydroxy-2-[(2-hydroxypropylamino)methyl]benzenecarboximidamide
CID 77028593
2-[[bis(2-methylpropyl)amino]methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 76994337
2-[(3-bromo-5-fluorophenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 81314094
2-[[bis(2-methoxyethyl)amino]methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 76994352
2-(2-propan-2-yloxyethoxymethyl)benzenecarbothioamide
CID 24690783
2-[(1-cyclopentylethylamino)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77029528

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N'-hydroxy-2-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide?
The IUPAC name of 5-fluoro-N'-hydroxy-2-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide (CID 76994345) is 5-fluoro-N'-hydroxy-2-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-N'-hydroxy-2-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide?
The canonical SMILES for 5-fluoro-N'-hydroxy-2-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide is CC(C)OCCOCc1ccc(F)cc1C(N)=NO.
What is the InChIKey of 5-fluoro-N'-hydroxy-2-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide?
The InChIKey is NDCWXYSONCKKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3/c1-9(2)19-6-5-18-8-10-3-4-11(14)7-12(10)13(15)16-17/h3-4,7,9,17H,5-6,8H2,1-2H3,(H2,15,16).
What are the key properties of 5-fluoro-N'-hydroxy-2-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide?
5-fluoro-N'-hydroxy-2-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide has a molecular weight of 270.30 g/mol, XLogP of 1.86, 7 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-propan-2-yloxyethoxymethyl)benzenecarboximidamide is sourced from PubChem (CID 76994345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).