2-fluoro-3-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-N'-hydroxybenzenecarboximidamide

C14H16FN3O2 — CID 107117299

IUPAC2-fluoro-3-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-N'-hydroxybenzenecarboximidamide
SMILESC[C@@H](NCc1cccc(/C(N)=N/O)c1F)c1ccco1
InChIInChI=1S/C14H16FN3O2/c1-9(12-6-3-7-20-12)17-8-10-4-2-5-11(13(10)15)14(16)18-19/h2-7,9,17,19H,8H2,1H3,(H2,16,18)/t9-/m1/s1
InChIKeyQYMQDCYMFWIJDP-SECBINFHSA-N
MW277.30 g/mol
LogP2.36
Rot. Bonds5

About 2-fluoro-3-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-N'-hydroxybenzenecarboximidamide

2-fluoro-3-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 107117299) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-fluoro-3-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-3-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID107117299
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name2-fluoro-3-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-N'-hydroxybenzenecarboximidamide
SMILESC[C@@H](NCc1cccc(/C(N)=N/O)c1F)c1ccco1
InChIInChI=1S/C14H16FN3O2/c1-9(12-6-3-7-20-12)17-8-10-4-2-5-11(13(10)15)14(16)18-19/h2-7,9,17,19H,8H2,1H3,(H2,16,18)/t9-/m1/s1
InChIKeyQYMQDCYMFWIJDP-SECBINFHSA-N
XLogP2.36
TPSA83.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.36
H-Bond Donors ≤ 53
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'}

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Related Compounds

2-fluoro-N'-hydroxy-3-[(1-phenylethylamino)methyl]benzenecarboximidamide
CID 107116649
2-fluoro-N'-hydroxy-3-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]benzenecarboximidamide
CID 107117305
2-[[2-fluoro-3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylamino]-3-methylbutanamide
CID 106345731
2-fluoro-N'-hydroxy-3-(methylaminomethyl)benzenecarboximidamide
CID 107116628
2-fluoro-N'-hydroxy-3-[(5-hydroxypentan-2-ylamino)methyl]benzenecarboximidamide
CID 107117241
2-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]benzamide
CID 81401144
2-fluoro-3-[[2-(furan-2-yl)ethylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 107116987
3-[(1-cyclopropylpropan-2-ylamino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107116955
3-[(1-cyclohexylethylamino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107116941
3-[(2,2-dimethylhydrazinyl)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117354
2-fluoro-N'-hydroxy-3-[(prop-2-ynylamino)methyl]benzenecarboximidamide
CID 107116640
3-[(2,6-dimethylanilino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107116893

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-fluoro-3-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-N'-hydroxybenzenecarboximidamide (CID 107117299) is 2-fluoro-3-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-fluoro-3-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-fluoro-3-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-N'-hydroxybenzenecarboximidamide is C[C@@H](NCc1cccc(/C(N)=N/O)c1F)c1ccco1.
What is the InChIKey of 2-fluoro-3-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is QYMQDCYMFWIJDP-SECBINFHSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-9(12-6-3-7-20-12)17-8-10-4-2-5-11(13(10)15)14(16)18-19/h2-7,9,17,19H,8H2,1H3,(H2,16,18)/t9-/m1/s1.
What are the key properties of 2-fluoro-3-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-N'-hydroxybenzenecarboximidamide?
2-fluoro-3-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 277.30 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 107117299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).