2-fluoro-3-[[2-(furan-2-yl)ethylamino]methyl]-N'-hydroxybenzenecarboximidamide

C14H16FN3O2 — CID 107116987

IUPAC2-fluoro-3-[[2-(furan-2-yl)ethylamino]methyl]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cccc(CNCCc2ccco2)c1F
InChIInChI=1S/C14H16FN3O2/c15-13-10(3-1-5-12(13)14(16)18-19)9-17-7-6-11-4-2-8-20-11/h1-5,8,17,19H,6-7,9H2,(H2,16,18)
InChIKeyLTUAQLFPSAJHAX-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.85
Rot. Bonds6

About 2-fluoro-3-[[2-(furan-2-yl)ethylamino]methyl]-N'-hydroxybenzenecarboximidamide

2-fluoro-3-[[2-(furan-2-yl)ethylamino]methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 107116987) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-fluoro-3-[[2-(furan-2-yl)ethylamino]methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-3-[[2-(furan-2-yl)ethylamino]methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID107116987
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name2-fluoro-3-[[2-(furan-2-yl)ethylamino]methyl]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cccc(CNCCc2ccco2)c1F
InChIInChI=1S/C14H16FN3O2/c15-13-10(3-1-5-12(13)14(16)18-19)9-17-7-6-11-4-2-8-20-11/h1-5,8,17,19H,6-7,9H2,(H2,16,18)
InChIKeyLTUAQLFPSAJHAX-UHFFFAOYSA-N
XLogP1.85
TPSA83.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

2-fluoro-N'-hydroxy-3-[(2-thiophen-2-ylethylamino)methyl]benzenecarboximidamide
CID 107116792
2-fluoro-3-(furan-2-ylmethoxymethyl)-N'-hydroxybenzenecarboximidamide
CID 107117587
2-fluoro-3-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 107117299
2-fluoro-N'-hydroxy-3-[(2-pyrrolidin-1-ylethylamino)methyl]benzenecarboximidamide
CID 107116916
2-fluoro-N'-hydroxy-3-(methylaminomethyl)benzenecarboximidamide
CID 107116628
2-fluoro-N'-hydroxy-3-[(prop-2-ynylamino)methyl]benzenecarboximidamide
CID 107116640
2-[[4-(furan-2-yl)butan-2-ylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77032802
2-fluoro-N'-hydroxy-3-[(3-propoxypropylamino)methyl]benzenecarboximidamide
CID 107117349
3-[(2,2-dimethylhydrazinyl)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117354
3-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117103
3-[[2-fluoro-3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylamino]-2,2-dimethylpropanamide
CID 106277755
3-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107116962

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[[2-(furan-2-yl)ethylamino]methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-fluoro-3-[[2-(furan-2-yl)ethylamino]methyl]-N'-hydroxybenzenecarboximidamide (CID 107116987) is 2-fluoro-3-[[2-(furan-2-yl)ethylamino]methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-fluoro-3-[[2-(furan-2-yl)ethylamino]methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-fluoro-3-[[2-(furan-2-yl)ethylamino]methyl]-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1cccc(CNCCc2ccco2)c1F.
What is the InChIKey of 2-fluoro-3-[[2-(furan-2-yl)ethylamino]methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is LTUAQLFPSAJHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c15-13-10(3-1-5-12(13)14(16)18-19)9-17-7-6-11-4-2-8-20-11/h1-5,8,17,19H,6-7,9H2,(H2,16,18).
What are the key properties of 2-fluoro-3-[[2-(furan-2-yl)ethylamino]methyl]-N'-hydroxybenzenecarboximidamide?
2-fluoro-3-[[2-(furan-2-yl)ethylamino]methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 277.30 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[[2-(furan-2-yl)ethylamino]methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 107116987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).