3-fluoro-N'-hydroxy-4-[(2-methylmorpholin-4-yl)methyl]benzenecarboximidamide

C13H18FN3O2 — CID 24707492

IUPAC3-fluoro-N'-hydroxy-4-[(2-methylmorpholin-4-yl)methyl]benzenecarboximidamide
SMILESCC1CN(Cc2ccc(/C(N)=N/O)cc2F)CCO1
InChIInChI=1S/C13H18FN3O2/c1-9-7-17(4-5-19-9)8-11-3-2-10(6-12(11)14)13(15)16-18/h2-3,6,9,18H,4-5,7-8H2,1H3,(H2,15,16)
InChIKeyKSJYVJCUTHHGRJ-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.14
Rot. Bonds3

About 3-fluoro-N'-hydroxy-4-[(2-methylmorpholin-4-yl)methyl]benzenecarboximidamide

3-fluoro-N'-hydroxy-4-[(2-methylmorpholin-4-yl)methyl]benzenecarboximidamide (PubChem CID 24707492) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-4-[(2-methylmorpholin-4-yl)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-4-[(2-methylmorpholin-4-yl)methyl]benzenecarboximidamide
PubChem CID24707492
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name3-fluoro-N'-hydroxy-4-[(2-methylmorpholin-4-yl)methyl]benzenecarboximidamide
SMILESCC1CN(Cc2ccc(/C(N)=N/O)cc2F)CCO1
InChIInChI=1S/C13H18FN3O2/c1-9-7-17(4-5-19-9)8-11-3-2-10(6-12(11)14)13(15)16-18/h2-3,6,9,18H,4-5,7-8H2,1H3,(H2,15,16)
InChIKeyKSJYVJCUTHHGRJ-UHFFFAOYSA-N
XLogP1.14
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.14
H-Bond Donors ≤ 52
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'}

Analyze 3-fluoro-N'-hydroxy-4-[(2-methylmorpholin-4-yl)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

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-hydroxy-4-[(2-methylmorpholin-4-yl)methyl]benzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-4-[(2-methylmorpholin-4-yl)methyl]benzenecarboximidamide (CID 24707492) is 3-fluoro-N'-hydroxy-4-[(2-methylmorpholin-4-yl)methyl]benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-4-[(2-methylmorpholin-4-yl)methyl]benzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-4-[(2-methylmorpholin-4-yl)methyl]benzenecarboximidamide is CC1CN(Cc2ccc(/C(N)=N/O)cc2F)CCO1.
What is the InChIKey of 3-fluoro-N'-hydroxy-4-[(2-methylmorpholin-4-yl)methyl]benzenecarboximidamide?
The InChIKey is KSJYVJCUTHHGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-9-7-17(4-5-19-9)8-11-3-2-10(6-12(11)14)13(15)16-18/h2-3,6,9,18H,4-5,7-8H2,1H3,(H2,15,16).
What are the key properties of 3-fluoro-N'-hydroxy-4-[(2-methylmorpholin-4-yl)methyl]benzenecarboximidamide?
3-fluoro-N'-hydroxy-4-[(2-methylmorpholin-4-yl)methyl]benzenecarboximidamide has a molecular weight of 267.30 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-hydroxy-4-[(2-methylmorpholin-4-yl)methyl]benzenecarboximidamide is sourced from PubChem (CID 24707492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).