2-fluoro-N'-hydroxy-3-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]benzenecarboximidamide

C15H22FN3O2 — CID 106361752

IUPAC2-fluoro-N'-hydroxy-3-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]benzenecarboximidamide
SMILESN/C(=N/O)c1cccc(CNC2CCCCC2CO)c1F
InChIInChI=1S/C15H22FN3O2/c16-14-10(5-3-6-12(14)15(17)19-21)8-18-13-7-2-1-4-11(13)9-20/h3,5-6,11,13,18,20-21H,1-2,4,7-9H2,(H2,17,19)
InChIKeyORFFYISMAZFYSG-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.56
Rot. Bonds5

About 2-fluoro-N'-hydroxy-3-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]benzenecarboximidamide

2-fluoro-N'-hydroxy-3-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]benzenecarboximidamide (PubChem CID 106361752) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-fluoro-N'-hydroxy-3-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-N'-hydroxy-3-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]benzenecarboximidamide
PubChem CID106361752
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name2-fluoro-N'-hydroxy-3-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]benzenecarboximidamide
SMILESN/C(=N/O)c1cccc(CNC2CCCCC2CO)c1F
InChIInChI=1S/C15H22FN3O2/c16-14-10(5-3-6-12(14)15(17)19-21)8-18-13-7-2-1-4-11(13)9-20/h3,5-6,11,13,18,20-21H,1-2,4,7-9H2,(H2,17,19)
InChIKeyORFFYISMAZFYSG-UHFFFAOYSA-N
XLogP1.56
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.56
H-Bond Donors ≤ 54
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'}

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Related Compounds

5-fluoro-N'-hydroxy-2-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]benzenecarboximidamide
CID 106361756
N'-hydroxy-3-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]pyridine-2-carboximidamide
CID 136746816
[2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexyl]methanol
CID 106361157
3-[(1-cyclohexylethylamino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107116941
3-[[(3-ethylcyclohexyl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117141
2-fluoro-N'-hydroxy-3-(methylaminomethyl)benzenecarboximidamide
CID 107116628
2-fluoro-N'-hydroxy-3-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]benzenecarboximidamide
CID 106256785
3-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117316
[2-[(2-aminophenyl)methylamino]cyclopentyl]methanol
CID 106359504
3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]benzene-1,2-diol
CID 113357915
3-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107116962
3-[(1-cyclopropylpropan-2-ylamino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107116955

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-hydroxy-3-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]benzenecarboximidamide?
The IUPAC name of 2-fluoro-N'-hydroxy-3-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]benzenecarboximidamide (CID 106361752) is 2-fluoro-N'-hydroxy-3-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-N'-hydroxy-3-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]benzenecarboximidamide?
The canonical SMILES for 2-fluoro-N'-hydroxy-3-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]benzenecarboximidamide is N/C(=N/O)c1cccc(CNC2CCCCC2CO)c1F.
What is the InChIKey of 2-fluoro-N'-hydroxy-3-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]benzenecarboximidamide?
The InChIKey is ORFFYISMAZFYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c16-14-10(5-3-6-12(14)15(17)19-21)8-18-13-7-2-1-4-11(13)9-20/h3,5-6,11,13,18,20-21H,1-2,4,7-9H2,(H2,17,19).
What are the key properties of 2-fluoro-N'-hydroxy-3-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]benzenecarboximidamide?
2-fluoro-N'-hydroxy-3-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]benzenecarboximidamide has a molecular weight of 295.36 g/mol, XLogP of 1.56, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-hydroxy-3-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 106361752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).