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

C14H22FN3O2 — CID 107200127

IUPAC5-fluoro-N'-hydroxy-2-[[5-hydroxypentyl(methyl)amino]methyl]benzenecarboximidamide
SMILESCN(CCCCCO)Cc1ccc(F)cc1/C(N)=N/O
InChIInChI=1S/C14H22FN3O2/c1-18(7-3-2-4-8-19)10-11-5-6-12(15)9-13(11)14(16)17-20/h5-6,9,19-20H,2-4,7-8,10H2,1H3,(H2,16,17)
InChIKeySHWSKZLXZPYXRW-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.51
Rot. Bonds8

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

5-fluoro-N'-hydroxy-2-[[5-hydroxypentyl(methyl)amino]methyl]benzenecarboximidamide (PubChem CID 107200127) has the molecular formula C14H22FN3O2 and a molecular weight of 283.35 g/mol. Its IUPAC name is 5-fluoro-N'-hydroxy-2-[[5-hydroxypentyl(methyl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-N'-hydroxy-2-[[5-hydroxypentyl(methyl)amino]methyl]benzenecarboximidamide
PubChem CID107200127
Molecular FormulaC14H22FN3O2
Molecular Weight283.35 g/mol
Exact Mass283.17
IUPAC Name5-fluoro-N'-hydroxy-2-[[5-hydroxypentyl(methyl)amino]methyl]benzenecarboximidamide
SMILESCN(CCCCCO)Cc1ccc(F)cc1/C(N)=N/O
InChIInChI=1S/C14H22FN3O2/c1-18(7-3-2-4-8-19)10-11-5-6-12(15)9-13(11)14(16)17-20/h5-6,9,19-20H,2-4,7-8,10H2,1H3,(H2,16,17)
InChIKeySHWSKZLXZPYXRW-UHFFFAOYSA-N
XLogP1.51
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.51
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N'-hydroxy-2-[[5-hydroxypentyl(methyl)amino]methyl]benzenecarboximidamide?
The IUPAC name of 5-fluoro-N'-hydroxy-2-[[5-hydroxypentyl(methyl)amino]methyl]benzenecarboximidamide (CID 107200127) is 5-fluoro-N'-hydroxy-2-[[5-hydroxypentyl(methyl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-N'-hydroxy-2-[[5-hydroxypentyl(methyl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for 5-fluoro-N'-hydroxy-2-[[5-hydroxypentyl(methyl)amino]methyl]benzenecarboximidamide is CN(CCCCCO)Cc1ccc(F)cc1/C(N)=N/O.
What is the InChIKey of 5-fluoro-N'-hydroxy-2-[[5-hydroxypentyl(methyl)amino]methyl]benzenecarboximidamide?
The InChIKey is SHWSKZLXZPYXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2/c1-18(7-3-2-4-8-19)10-11-5-6-12(15)9-13(11)14(16)17-20/h5-6,9,19-20H,2-4,7-8,10H2,1H3,(H2,16,17).
What are the key properties of 5-fluoro-N'-hydroxy-2-[[5-hydroxypentyl(methyl)amino]methyl]benzenecarboximidamide?
5-fluoro-N'-hydroxy-2-[[5-hydroxypentyl(methyl)amino]methyl]benzenecarboximidamide has a molecular weight of 283.35 g/mol, XLogP of 1.51, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N'-hydroxy-2-[[5-hydroxypentyl(methyl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 107200127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).