3-fluoro-N'-hydroxy-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide

C14H20FN3O3 — CID 114777064

IUPAC3-fluoro-N'-hydroxy-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide
SMILESCC1(C)CN(c2ccc(/C(N)=N/O)cc2F)CC(CO)O1
InChIInChI=1S/C14H20FN3O3/c1-14(2)8-18(6-10(7-19)21-14)12-4-3-9(5-11(12)15)13(16)17-20/h3-5,10,19-20H,6-8H2,1-2H3,(H2,16,17)
InChIKeyXVEUJWPMPMLNBO-UHFFFAOYSA-N
MW297.33 g/mol
LogP0.90
Rot. Bonds3

About 3-fluoro-N'-hydroxy-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide

3-fluoro-N'-hydroxy-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide (PubChem CID 114777064) has the molecular formula C14H20FN3O3 and a molecular weight of 297.33 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide
PubChem CID114777064
Molecular FormulaC14H20FN3O3
Molecular Weight297.33 g/mol
Exact Mass297.15
IUPAC Name3-fluoro-N'-hydroxy-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide
SMILESCC1(C)CN(c2ccc(/C(N)=N/O)cc2F)CC(CO)O1
InChIInChI=1S/C14H20FN3O3/c1-14(2)8-18(6-10(7-19)21-14)12-4-3-9(5-11(12)15)13(16)17-20/h3-5,10,19-20H,6-8H2,1-2H3,(H2,16,17)
InChIKeyXVEUJWPMPMLNBO-UHFFFAOYSA-N
XLogP0.90
TPSA91.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

4-{2-fluoro-4-[(E)-(oxido-lambda~5~-azanylidene)methyl]phenyl}morpholine
CID 11009598
N'-hydroxy-4-morpholino-3-(trifluoromethyl)benzimidamide
CID 59556629
N'-hydroxy-4-(morpholin-4-yl)-3-(trifluoromethyl)benzene-1-carboximidamide
CID 72325637
(NE)-N-[1-(2-fluoro-4-morpholin-4-ylphenyl)ethylidene]hydroxylamine
CID 87216283
N-[1-(2-fluoro-4-morpholin-4-ylphenyl)ethylidene]hydroxylamine
CID 140496676
N'-hydroxy-4-(2-methylmorpholin-4-yl)-2-(trifluoromethyl)benzenecarboximidamide
CID 43320950
N'-hydroxy-4-(4-hydroxypiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
CID 43320962
N'-hydroxy-2-(2-methylmorpholin-4-yl)-5-(trifluoromethyl)benzenecarboximidamide
CID 43331336
N'-hydroxy-2-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)benzenecarboximidamide
CID 43331340
N'-hydroxy-2-(3-methylmorpholin-4-yl)-5-(trifluoromethyl)benzenecarboximidamide
CID 43542166
N'-hydroxy-4-(3-methylmorpholin-4-yl)-2-(trifluoromethyl)benzenecarboximidamide
CID 43542167
3-fluoro-N'-hydroxy-4-morpholin-4-ylbenzenecarboximidamide
CID 43658118

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-hydroxy-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide (CID 114777064) is 3-fluoro-N'-hydroxy-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide is CC1(C)CN(c2ccc(/C(N)=N/O)cc2F)CC(CO)O1.
What is the InChIKey of 3-fluoro-N'-hydroxy-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide?
The InChIKey is XVEUJWPMPMLNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O3/c1-14(2)8-18(6-10(7-19)21-14)12-4-3-9(5-11(12)15)13(16)17-20/h3-5,10,19-20H,6-8H2,1-2H3,(H2,16,17).
What are the key properties of 3-fluoro-N'-hydroxy-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide?
3-fluoro-N'-hydroxy-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide has a molecular weight of 297.33 g/mol, XLogP of 0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-hydroxy-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide is sourced from PubChem (CID 114777064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).