2-(azocan-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide

C14H20FN3O — CID 77004264

IUPAC2-(azocan-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1cc(F)ccc1N1CCCCCCC1
InChIInChI=1S/C14H20FN3O/c15-11-6-7-13(12(10-11)14(16)17-19)18-8-4-2-1-3-5-9-18/h6-7,10,19H,1-5,8-9H2,(H2,16,17)
InChIKeyJMEHWLDQHPYOSJ-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.69
Rot. Bonds2

About 2-(azocan-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide

2-(azocan-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 77004264) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-(azocan-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(azocan-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID77004264
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name2-(azocan-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1cc(F)ccc1N1CCCCCCC1
InChIInChI=1S/C14H20FN3O/c15-11-6-7-13(12(10-11)14(16)17-19)18-8-4-2-1-3-5-9-18/h6-7,10,19H,1-5,8-9H2,(H2,16,17)
InChIKeyJMEHWLDQHPYOSJ-UHFFFAOYSA-N
XLogP2.69
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.69
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-pyrrolidin-1-ylbenzenecarboximidamide
CID 77016942
5-fluoro-N'-hydroxy-2-(4-methyl-1,4-diazepan-1-yl)benzenecarboximidamide
CID 55234100
2-(4,4-dimethylazepan-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77064459
2-(8-azaspiro[4.5]decan-8-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004280
5-fluoro-N'-hydroxy-2-(4-methylazepan-1-yl)benzenecarboximidamide
CID 77004346
5-fluoro-N'-hydroxy-2-(4-hydroxy-4-methylpiperidin-1-yl)benzenecarboximidamide
CID 81097007
2-(azocan-1-yl)-5-fluorobenzenecarbothioamide
CID 63675049
5-fluoro-N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide
CID 77004386
5-fluoro-N'-hydroxy-2-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide
CID 77004304
2-(4-ethoxypiperidin-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004290
2-(2,6-dimethylmorpholin-4-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004286
5-fluoro-N'-hydroxy-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide
CID 102744059

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-(azocan-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide (CID 77004264) is 2-(azocan-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-(azocan-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-(azocan-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide is NC(=NO)c1cc(F)ccc1N1CCCCCCC1.
What is the InChIKey of 2-(azocan-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is JMEHWLDQHPYOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c15-11-6-7-13(12(10-11)14(16)17-19)18-8-4-2-1-3-5-9-18/h6-7,10,19H,1-5,8-9H2,(H2,16,17).
What are the key properties of 2-(azocan-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide?
2-(azocan-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 265.33 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77004264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).