3-fluoro-N'-hydroxy-4-pyrrolidin-1-ylbenzenecarboximidamide

C11H14FN3O — CID 43658117

IUPAC3-fluoro-N'-hydroxy-4-pyrrolidin-1-ylbenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C11H14FN3O/c12-9-7-8(11(13)14-16)3-4-10(9)15-5-1-2-6-15/h3-4,7,16H,1-2,5-6H2,(H2,13,14)
InChIKeyZAZDITGFZUULBV-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.52
Rot. Bonds2

About 3-fluoro-N'-hydroxy-4-pyrrolidin-1-ylbenzenecarboximidamide

3-fluoro-N'-hydroxy-4-pyrrolidin-1-ylbenzenecarboximidamide (PubChem CID 43658117) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-4-pyrrolidin-1-ylbenzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-4-pyrrolidin-1-ylbenzenecarboximidamide
PubChem CID43658117
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name3-fluoro-N'-hydroxy-4-pyrrolidin-1-ylbenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C11H14FN3O/c12-9-7-8(11(13)14-16)3-4-10(9)15-5-1-2-6-15/h3-4,7,16H,1-2,5-6H2,(H2,13,14)
InChIKeyZAZDITGFZUULBV-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

3-fluoro-N'-hydroxy-4-piperazin-1-ylbenzenecarboximidamide
CID 88870309
3-fluoro-N'-hydroxy-4-(4-methylpiperazin-1-yl)benzenecarboximidamide
CID 43658121
3-fluoro-N'-hydroxy-4-(4-propan-2-ylazepan-1-yl)benzenecarboximidamide
CID 77024723
4-(4-ethylpiperidin-1-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 61421396
3-fluoro-N'-hydroxy-4-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide
CID 76948985
3-fluoro-N'-hydroxy-4-(3-methylpyrrolidin-1-yl)benzenecarboximidamide
CID 61226785
3-fluoro-N'-hydroxy-4-(2-methylpiperidin-1-yl)benzenecarboximidamide
CID 43658120
3-fluoro-N'-hydroxy-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzenecarboximidamide
CID 77135914
4-(2,6-dimethylthiomorpholin-4-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77020685
4-(3,4-dimethylpiperazin-1-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77000724
3-fluoro-4-pyrrolidin-1-ylbenzoic acid
CID 28604177
3-fluoro-N'-hydroxy-4-(3-propoxypiperidin-1-yl)benzenecarboximidamide
CID 76910257

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-hydroxy-4-pyrrolidin-1-ylbenzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-4-pyrrolidin-1-ylbenzenecarboximidamide (CID 43658117) is 3-fluoro-N'-hydroxy-4-pyrrolidin-1-ylbenzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-4-pyrrolidin-1-ylbenzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-4-pyrrolidin-1-ylbenzenecarboximidamide is N/C(=N\O)c1ccc(N2CCCC2)c(F)c1.
What is the InChIKey of 3-fluoro-N'-hydroxy-4-pyrrolidin-1-ylbenzenecarboximidamide?
The InChIKey is ZAZDITGFZUULBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c12-9-7-8(11(13)14-16)3-4-10(9)15-5-1-2-6-15/h3-4,7,16H,1-2,5-6H2,(H2,13,14).
What are the key properties of 3-fluoro-N'-hydroxy-4-pyrrolidin-1-ylbenzenecarboximidamide?
3-fluoro-N'-hydroxy-4-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 3-fluoro-N'-hydroxy-4-pyrrolidin-1-ylbenzenecarboximidamide is sourced from PubChem (CID 43658117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).