5-fluoro-N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide

C11H14FN3O2 — CID 77004386

IUPAC5-fluoro-N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide
SMILESNC(=NO)c1cc(F)ccc1N1CCC(O)C1
InChIInChI=1S/C11H14FN3O2/c12-7-1-2-10(9(5-7)11(13)14-17)15-4-3-8(16)6-15/h1-2,5,8,16-17H,3-4,6H2,(H2,13,14)
InChIKeyCWDDBCXDEADWBQ-UHFFFAOYSA-N
MW239.25 g/mol
LogP0.49
Rot. Bonds2

About 5-fluoro-N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide

5-fluoro-N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide (PubChem CID 77004386) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is 5-fluoro-N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide
PubChem CID77004386
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name5-fluoro-N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide
SMILESNC(=NO)c1cc(F)ccc1N1CCC(O)C1
InChIInChI=1S/C11H14FN3O2/c12-7-1-2-10(9(5-7)11(13)14-17)15-4-3-8(16)6-15/h1-2,5,8,16-17H,3-4,6H2,(H2,13,14)
InChIKeyCWDDBCXDEADWBQ-UHFFFAOYSA-N
XLogP0.49
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 50.49
H-Bond Donors ≤ 53
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

5-fluoro-N'-hydroxy-2-pyrrolidin-1-ylbenzenecarboximidamide
CID 77016942
2-(azocan-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004264
5-fluoro-N'-hydroxy-2-(4-methylazepan-1-yl)benzenecarboximidamide
CID 77004346
2-(4-ethoxypiperidin-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004290
2-(2,6-dimethylmorpholin-4-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004286
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-hydroxy-4-methylpiperidin-1-yl)benzenecarboximidamide
CID 81097007
5-fluoro-N'-hydroxy-2-(4-methyl-1,4-diazepan-1-yl)benzenecarboximidamide
CID 55234100
1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 67022287
2-(2-azabicyclo[2.2.1]heptan-2-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004542
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004498

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide?
The IUPAC name of 5-fluoro-N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide (CID 77004386) is 5-fluoro-N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide?
The canonical SMILES for 5-fluoro-N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide is NC(=NO)c1cc(F)ccc1N1CCC(O)C1.
What is the InChIKey of 5-fluoro-N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide?
The InChIKey is CWDDBCXDEADWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c12-7-1-2-10(9(5-7)11(13)14-17)15-4-3-8(16)6-15/h1-2,5,8,16-17H,3-4,6H2,(H2,13,14).
What are the key properties of 5-fluoro-N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide?
5-fluoro-N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide has a molecular weight of 239.25 g/mol, XLogP of 0.49, 2 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-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 77004386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).