2-fluoro-N'-hydroxy-3-(methylaminomethyl)benzenecarboximidamide

C9H12FN3O — CID 107116628

IUPAC2-fluoro-N'-hydroxy-3-(methylaminomethyl)benzenecarboximidamide
SMILESCNCc1cccc(/C(N)=N/O)c1F
InChIInChI=1S/C9H12FN3O/c1-12-5-6-3-2-4-7(8(6)10)9(11)13-14/h2-4,12,14H,5H2,1H3,(H2,11,13)
InChIKeyKEAMOOWULITTFG-UHFFFAOYSA-N
MW197.21 g/mol
LogP0.64
Rot. Bonds3

About 2-fluoro-N'-hydroxy-3-(methylaminomethyl)benzenecarboximidamide

2-fluoro-N'-hydroxy-3-(methylaminomethyl)benzenecarboximidamide (PubChem CID 107116628) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 2-fluoro-N'-hydroxy-3-(methylaminomethyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-N'-hydroxy-3-(methylaminomethyl)benzenecarboximidamide
PubChem CID107116628
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name2-fluoro-N'-hydroxy-3-(methylaminomethyl)benzenecarboximidamide
SMILESCNCc1cccc(/C(N)=N/O)c1F
InChIInChI=1S/C9H12FN3O/c1-12-5-6-3-2-4-7(8(6)10)9(11)13-14/h2-4,12,14H,5H2,1H3,(H2,11,13)
InChIKeyKEAMOOWULITTFG-UHFFFAOYSA-N
XLogP0.64
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

3-[(2,2-dimethylhydrazinyl)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117354
3-[(2,6-dimethylanilino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107116893
2-fluoro-N'-hydroxy-3-[(prop-2-ynylamino)methyl]benzenecarboximidamide
CID 107116640
2-fluoro-N'-hydroxy-3-[(1-phenylethylamino)methyl]benzenecarboximidamide
CID 107116649
3-[(4-ethylanilino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107116801
3-[[2-fluoro-3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylamino]-2,2-dimethylpropanamide
CID 106277755
2-[[2-fluoro-3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylamino]-3-methylbutanamide
CID 106345731
3-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117103
3-[[(1-ethylcyclobutyl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117447
3-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107116962
2-fluoro-3-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 107117299
2-fluoro-N'-hydroxy-3-[(5-hydroxypentan-2-ylamino)methyl]benzenecarboximidamide
CID 107117241

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-hydroxy-3-(methylaminomethyl)benzenecarboximidamide?
The IUPAC name of 2-fluoro-N'-hydroxy-3-(methylaminomethyl)benzenecarboximidamide (CID 107116628) is 2-fluoro-N'-hydroxy-3-(methylaminomethyl)benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-N'-hydroxy-3-(methylaminomethyl)benzenecarboximidamide?
The canonical SMILES for 2-fluoro-N'-hydroxy-3-(methylaminomethyl)benzenecarboximidamide is CNCc1cccc(/C(N)=N/O)c1F.
What is the InChIKey of 2-fluoro-N'-hydroxy-3-(methylaminomethyl)benzenecarboximidamide?
The InChIKey is KEAMOOWULITTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c1-12-5-6-3-2-4-7(8(6)10)9(11)13-14/h2-4,12,14H,5H2,1H3,(H2,11,13).
What are the key properties of 2-fluoro-N'-hydroxy-3-(methylaminomethyl)benzenecarboximidamide?
2-fluoro-N'-hydroxy-3-(methylaminomethyl)benzenecarboximidamide has a molecular weight of 197.21 g/mol, XLogP of 0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-hydroxy-3-(methylaminomethyl)benzenecarboximidamide is sourced from PubChem (CID 107116628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).