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

C15H22FN3O2 — CID 106361756

IUPAC5-fluoro-N'-hydroxy-2-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]benzenecarboximidamide
SMILESN/C(=N/O)c1cc(F)ccc1CNC1CCCCC1CO
InChIInChI=1S/C15H22FN3O2/c16-12-6-5-10(13(7-12)15(17)19-21)8-18-14-4-2-1-3-11(14)9-20/h5-7,11,14,18,20-21H,1-4,8-9H2,(H2,17,19)
InChIKeyDHDXRHNGIVGARX-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.56
Rot. Bonds5

About 5-fluoro-N'-hydroxy-2-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]benzenecarboximidamide

5-fluoro-N'-hydroxy-2-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]benzenecarboximidamide (PubChem CID 106361756) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is 5-fluoro-N'-hydroxy-2-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-N'-hydroxy-2-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]benzenecarboximidamide
PubChem CID106361756
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name5-fluoro-N'-hydroxy-2-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]benzenecarboximidamide
SMILESN/C(=N/O)c1cc(F)ccc1CNC1CCCCC1CO
InChIInChI=1S/C15H22FN3O2/c16-12-6-5-10(13(7-12)15(17)19-21)8-18-14-4-2-1-3-11(14)9-20/h5-7,11,14,18,20-21H,1-4,8-9H2,(H2,17,19)
InChIKeyDHDXRHNGIVGARX-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

2-fluoro-N'-hydroxy-3-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]benzenecarboximidamide
CID 106361752
[2-[(4-fluoro-2-methylphenyl)methylamino]cyclopentyl]methanol
CID 113243356
5-fluoro-N'-hydroxy-2-[[(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide
CID 77029815
2-[(1-cyclopentylethylamino)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77029528
5-fluoro-N'-hydroxy-2-[[(1-methylpyrrolidin-3-yl)amino]methyl]benzenecarboximidamide
CID 77032922
N'-hydroxy-3-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]pyridine-2-carboximidamide
CID 136746816
2-[[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77099054
2-[(1,3-dihydroxypropan-2-ylamino)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77065005
5-fluoro-N'-hydroxy-2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide
CID 77055285
2-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine
CID 106365303
2-[(2-chloro-4-fluoroanilino)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77028971
5-fluoro-N'-hydroxy-2-[(2-hydroxypropylamino)methyl]benzenecarboximidamide
CID 77028593

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N'-hydroxy-2-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]benzenecarboximidamide?
The IUPAC name of 5-fluoro-N'-hydroxy-2-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]benzenecarboximidamide (CID 106361756) is 5-fluoro-N'-hydroxy-2-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-N'-hydroxy-2-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]benzenecarboximidamide?
The canonical SMILES for 5-fluoro-N'-hydroxy-2-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]benzenecarboximidamide is N/C(=N/O)c1cc(F)ccc1CNC1CCCCC1CO.
What is the InChIKey of 5-fluoro-N'-hydroxy-2-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]benzenecarboximidamide?
The InChIKey is DHDXRHNGIVGARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c16-12-6-5-10(13(7-12)15(17)19-21)8-18-14-4-2-1-3-11(14)9-20/h5-7,11,14,18,20-21H,1-4,8-9H2,(H2,17,19).
What are the key properties of 5-fluoro-N'-hydroxy-2-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]benzenecarboximidamide?
5-fluoro-N'-hydroxy-2-[[[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 5-fluoro-N'-hydroxy-2-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 106361756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).