5-fluoro-N'-hydroxy-2-pyrrolidin-1-ylbenzenecarboximidamide

C11H14FN3O — CID 77016942

IUPAC5-fluoro-N'-hydroxy-2-pyrrolidin-1-ylbenzenecarboximidamide
SMILESNC(=NO)c1cc(F)ccc1N1CCCC1
InChIInChI=1S/C11H14FN3O/c12-8-3-4-10(15-5-1-2-6-15)9(7-8)11(13)14-16/h3-4,7,16H,1-2,5-6H2,(H2,13,14)
InChIKeyPZJGTQGHKGUBOY-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.52
Rot. Bonds2

About 5-fluoro-N'-hydroxy-2-pyrrolidin-1-ylbenzenecarboximidamide

5-fluoro-N'-hydroxy-2-pyrrolidin-1-ylbenzenecarboximidamide (PubChem CID 77016942) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is 5-fluoro-N'-hydroxy-2-pyrrolidin-1-ylbenzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-N'-hydroxy-2-pyrrolidin-1-ylbenzenecarboximidamide
PubChem CID77016942
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name5-fluoro-N'-hydroxy-2-pyrrolidin-1-ylbenzenecarboximidamide
SMILESNC(=NO)c1cc(F)ccc1N1CCCC1
InChIInChI=1S/C11H14FN3O/c12-8-3-4-10(15-5-1-2-6-15)9(7-8)11(13)14-16/h3-4,7,16H,1-2,5-6H2,(H2,13,14)
InChIKeyPZJGTQGHKGUBOY-UHFFFAOYSA-N
XLogP1.52
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.52
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

2-(azocan-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004264
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
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-(azocan-1-yl)-5-fluorobenzenecarbothioamide
CID 63675049
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 5-fluoro-N'-hydroxy-2-pyrrolidin-1-ylbenzenecarboximidamide?
The IUPAC name of 5-fluoro-N'-hydroxy-2-pyrrolidin-1-ylbenzenecarboximidamide (CID 77016942) is 5-fluoro-N'-hydroxy-2-pyrrolidin-1-ylbenzenecarboximidamide.
What is the SMILES notation for 5-fluoro-N'-hydroxy-2-pyrrolidin-1-ylbenzenecarboximidamide?
The canonical SMILES for 5-fluoro-N'-hydroxy-2-pyrrolidin-1-ylbenzenecarboximidamide is NC(=NO)c1cc(F)ccc1N1CCCC1.
What is the InChIKey of 5-fluoro-N'-hydroxy-2-pyrrolidin-1-ylbenzenecarboximidamide?
The InChIKey is PZJGTQGHKGUBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c12-8-3-4-10(15-5-1-2-6-15)9(7-8)11(13)14-16/h3-4,7,16H,1-2,5-6H2,(H2,13,14).
What are the key properties of 5-fluoro-N'-hydroxy-2-pyrrolidin-1-ylbenzenecarboximidamide?
5-fluoro-N'-hydroxy-2-pyrrolidin-1-ylbenzenecarboximidamide has a molecular weight of 223.25 g/mol, XLogP of 1.52, 2 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-pyrrolidin-1-ylbenzenecarboximidamide is sourced from PubChem (CID 77016942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).