5-fluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzenecarboximidamide

C14H20FN3O2 — CID 77028666

IUPAC5-fluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzenecarboximidamide
SMILESNC(=NO)c1cc(F)ccc1CNC1(CO)CCCC1
InChIInChI=1S/C14H20FN3O2/c15-11-4-3-10(12(7-11)13(16)18-20)8-17-14(9-19)5-1-2-6-14/h3-4,7,17,19-20H,1-2,5-6,8-9H2,(H2,16,18)
InChIKeyNEUCGQHJTFOJCS-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.31
Rot. Bonds5

About 5-fluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzenecarboximidamide

5-fluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzenecarboximidamide (PubChem CID 77028666) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 5-fluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzenecarboximidamide
PubChem CID77028666
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name5-fluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzenecarboximidamide
SMILESNC(=NO)c1cc(F)ccc1CNC1(CO)CCCC1
InChIInChI=1S/C14H20FN3O2/c15-11-4-3-10(12(7-11)13(16)18-20)8-17-14(9-19)5-1-2-6-14/h3-4,7,17,19-20H,1-2,5-6,8-9H2,(H2,16,18)
InChIKeyNEUCGQHJTFOJCS-UHFFFAOYSA-N
XLogP1.31
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.31
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzenecarboximidamide?
The IUPAC name of 5-fluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzenecarboximidamide (CID 77028666) is 5-fluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzenecarboximidamide?
The canonical SMILES for 5-fluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzenecarboximidamide is NC(=NO)c1cc(F)ccc1CNC1(CO)CCCC1.
What is the InChIKey of 5-fluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzenecarboximidamide?
The InChIKey is NEUCGQHJTFOJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c15-11-4-3-10(12(7-11)13(16)18-20)8-17-14(9-19)5-1-2-6-14/h3-4,7,17,19-20H,1-2,5-6,8-9H2,(H2,16,18).
What are the key properties of 5-fluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzenecarboximidamide?
5-fluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzenecarboximidamide has a molecular weight of 281.33 g/mol, XLogP of 1.31, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 77028666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).