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

C12H17FN2O2 — CID 55171941

IUPAC5-fluoro-N'-hydroxy-2-(2-methylpropoxymethyl)benzenecarboximidamide
SMILESCC(C)COCc1ccc(F)cc1/C(N)=N/O
InChIInChI=1S/C12H17FN2O2/c1-8(2)6-17-7-9-3-4-10(13)5-11(9)12(14)15-16/h3-5,8,16H,6-7H2,1-2H3,(H2,14,15)
InChIKeyBJNBPWSQJPEPHS-UHFFFAOYSA-N
MW240.28 g/mol
LogP2.09
Rot. Bonds5

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

5-fluoro-N'-hydroxy-2-(2-methylpropoxymethyl)benzenecarboximidamide (PubChem CID 55171941) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 5-fluoro-N'-hydroxy-2-(2-methylpropoxymethyl)benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-N'-hydroxy-2-(2-methylpropoxymethyl)benzenecarboximidamide
PubChem CID55171941
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name5-fluoro-N'-hydroxy-2-(2-methylpropoxymethyl)benzenecarboximidamide
SMILESCC(C)COCc1ccc(F)cc1/C(N)=N/O
InChIInChI=1S/C12H17FN2O2/c1-8(2)6-17-7-9-3-4-10(13)5-11(9)12(14)15-16/h3-5,8,16H,6-7H2,1-2H3,(H2,14,15)
InChIKeyBJNBPWSQJPEPHS-UHFFFAOYSA-N
XLogP2.09
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 52.09
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'}

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Related Compounds

5-fluoro-N'-hydroxy-2-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide
CID 76994345
5-fluoro-N'-hydroxy-2-(2-methoxyethoxymethyl)benzenecarboximidamide
CID 76994379
5-fluoro-2-[(2-fluorophenyl)methoxymethyl]-N'-hydroxybenzenecarboximidamide
CID 77013703
2-(2-cyclopropylethoxymethyl)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 114157515
2-[[bis(2-methylpropyl)amino]methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 76994337
5-fluoro-N'-hydroxy-2-[(2-hydroxypropylamino)methyl]benzenecarboximidamide
CID 77028593
5-fluoro-N'-hydroxy-2-(phenoxymethyl)benzenecarboximidamide
CID 76994491
2-fluoro-N'-hydroxy-3-[2-(2-methylpropoxy)ethoxymethyl]benzenecarboximidamide
CID 107117708
2-[(3-bromo-5-fluorophenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 81314094
2-[(3-ethylcyclohexyl)oxymethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77034498
N'-hydroxy-2-methoxy-4-(2-methylpropoxymethyl)benzenecarboximidamide
CID 106790281
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-methylpropoxymethyl)benzenecarboximidamide?
The IUPAC name of 5-fluoro-N'-hydroxy-2-(2-methylpropoxymethyl)benzenecarboximidamide (CID 55171941) is 5-fluoro-N'-hydroxy-2-(2-methylpropoxymethyl)benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-N'-hydroxy-2-(2-methylpropoxymethyl)benzenecarboximidamide?
The canonical SMILES for 5-fluoro-N'-hydroxy-2-(2-methylpropoxymethyl)benzenecarboximidamide is CC(C)COCc1ccc(F)cc1/C(N)=N/O.
What is the InChIKey of 5-fluoro-N'-hydroxy-2-(2-methylpropoxymethyl)benzenecarboximidamide?
The InChIKey is BJNBPWSQJPEPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-8(2)6-17-7-9-3-4-10(13)5-11(9)12(14)15-16/h3-5,8,16H,6-7H2,1-2H3,(H2,14,15).
What are the key properties of 5-fluoro-N'-hydroxy-2-(2-methylpropoxymethyl)benzenecarboximidamide?
5-fluoro-N'-hydroxy-2-(2-methylpropoxymethyl)benzenecarboximidamide has a molecular weight of 240.28 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N'-hydroxy-2-(2-methylpropoxymethyl)benzenecarboximidamide is sourced from PubChem (CID 55171941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).