5-fluoro-N'-hydroxy-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]benzenecarboximidamide

C14H20FN3O3 — CID 106299251

IUPAC5-fluoro-N'-hydroxy-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]benzenecarboximidamide
SMILESN/C(=N/O)c1cc(F)ccc1CNC1(CO)CCOCC1
InChIInChI=1S/C14H20FN3O3/c15-11-2-1-10(12(7-11)13(16)18-20)8-17-14(9-19)3-5-21-6-4-14/h1-2,7,17,19-20H,3-6,8-9H2,(H2,16,18)
InChIKeyDFMFWBNSJQGONY-UHFFFAOYSA-N
MW297.33 g/mol
LogP0.55
Rot. Bonds5

About 5-fluoro-N'-hydroxy-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]benzenecarboximidamide

5-fluoro-N'-hydroxy-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]benzenecarboximidamide (PubChem CID 106299251) has the molecular formula C14H20FN3O3 and a molecular weight of 297.33 g/mol. Its IUPAC name is 5-fluoro-N'-hydroxy-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-N'-hydroxy-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]benzenecarboximidamide
PubChem CID106299251
Molecular FormulaC14H20FN3O3
Molecular Weight297.33 g/mol
Exact Mass297.15
IUPAC Name5-fluoro-N'-hydroxy-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]benzenecarboximidamide
SMILESN/C(=N/O)c1cc(F)ccc1CNC1(CO)CCOCC1
InChIInChI=1S/C14H20FN3O3/c15-11-2-1-10(12(7-11)13(16)18-20)8-17-14(9-19)3-5-21-6-4-14/h1-2,7,17,19-20H,3-6,8-9H2,(H2,16,18)
InChIKeyDFMFWBNSJQGONY-UHFFFAOYSA-N
XLogP0.55
TPSA100.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 50.55
H-Bond Donors ≤ 54
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'}

Analyze 5-fluoro-N'-hydroxy-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-N'-hydroxy-2-[(2-methylmorpholin-4-yl)methyl]benzenecarboximidamide
CID 55170785
5-fluoro-N'-hydroxy-2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzenecarboximidamide
CID 55171367
5-Fluoro-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 63290540
5-Fluoro-2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 63290924
5-fluoro-N'-hydroxy-2-[(1-methoxypropan-2-ylamino)methyl]benzenecarboximidamide
CID 64326175
2-[(2-ethoxyethylamino)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 64326530
3-fluoro-N'-hydroxy-4-[(1-hydroxypropan-2-ylamino)methyl]benzenecarboximidamide
CID 64329345
5-fluoro-N'-hydroxy-2-[(3-methoxypropylamino)methyl]benzenecarboximidamide
CID 64329956
5-fluoro-N'-hydroxy-2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]benzenecarboximidamide
CID 64332070
5-fluoro-N'-hydroxy-2-[(2-methylmorpholin-4-yl)methyl]benzenecarboximidamide
CID 76210918
5-fluoro-N'-hydroxy-2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzenecarboximidamide
CID 76210944
3-fluoro-N'-hydroxy-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 76899898

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N'-hydroxy-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]benzenecarboximidamide?
The IUPAC name of 5-fluoro-N'-hydroxy-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]benzenecarboximidamide (CID 106299251) is 5-fluoro-N'-hydroxy-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-N'-hydroxy-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]benzenecarboximidamide?
The canonical SMILES for 5-fluoro-N'-hydroxy-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]benzenecarboximidamide is N/C(=N/O)c1cc(F)ccc1CNC1(CO)CCOCC1.
What is the InChIKey of 5-fluoro-N'-hydroxy-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]benzenecarboximidamide?
The InChIKey is DFMFWBNSJQGONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O3/c15-11-2-1-10(12(7-11)13(16)18-20)8-17-14(9-19)3-5-21-6-4-14/h1-2,7,17,19-20H,3-6,8-9H2,(H2,16,18).
What are the key properties of 5-fluoro-N'-hydroxy-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]benzenecarboximidamide?
5-fluoro-N'-hydroxy-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]benzenecarboximidamide has a molecular weight of 297.33 g/mol, XLogP of 0.55, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N'-hydroxy-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 106299251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).