2-fluoro-N'-hydroxy-3-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]benzenecarboximidamide

C13H17FN4O2 — CID 106256785

IUPAC2-fluoro-N'-hydroxy-3-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]benzenecarboximidamide
SMILESCN1CCC(NCc2cccc(/C(N)=N/O)c2F)C1=O
InChIInChI=1S/C13H17FN4O2/c1-18-6-5-10(13(18)19)16-7-8-3-2-4-9(11(8)14)12(15)17-20/h2-4,10,16,20H,5-7H2,1H3,(H2,15,17)
InChIKeyZBGWEHOBXNHLRM-UHFFFAOYSA-N
MW280.30 g/mol
LogP0.24
Rot. Bonds4

About 2-fluoro-N'-hydroxy-3-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]benzenecarboximidamide

2-fluoro-N'-hydroxy-3-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]benzenecarboximidamide (PubChem CID 106256785) has the molecular formula C13H17FN4O2 and a molecular weight of 280.30 g/mol. Its IUPAC name is 2-fluoro-N'-hydroxy-3-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-N'-hydroxy-3-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]benzenecarboximidamide
PubChem CID106256785
Molecular FormulaC13H17FN4O2
Molecular Weight280.30 g/mol
Exact Mass280.13
IUPAC Name2-fluoro-N'-hydroxy-3-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]benzenecarboximidamide
SMILESCN1CCC(NCc2cccc(/C(N)=N/O)c2F)C1=O
InChIInChI=1S/C13H17FN4O2/c1-18-6-5-10(13(18)19)16-7-8-3-2-4-9(11(8)14)12(15)17-20/h2-4,10,16,20H,5-7H2,1H3,(H2,15,17)
InChIKeyZBGWEHOBXNHLRM-UHFFFAOYSA-N
XLogP0.24
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 50.24
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'}

Analyze 2-fluoro-N'-hydroxy-3-[[(1-methyl-2-oxopyrrolidin-3-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

2-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]benzoic acid
CID 106257588
3-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117316
3-[(2-aminophenyl)methylamino]-1-methylpyrrolidin-2-one
CID 106252839
3-[[(3-ethylcyclohexyl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117141
2-fluoro-N'-hydroxy-3-(methylaminomethyl)benzenecarboximidamide
CID 107116628
2-fluoro-N'-hydroxy-3-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]benzenecarboximidamide
CID 106361752
3-[(2-cyclopropylphenyl)methylamino]-1-methylpyrrolidin-2-one
CID 103739369
2-fluoro-N'-hydroxy-3-[(4-hydroxypiperidin-1-yl)methyl]benzenecarboximidamide
CID 107116369
3-[(2,2-dimethylhydrazinyl)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117354
3-[(1-cyclopropylpropan-2-ylamino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107116955
2-fluoro-N'-hydroxy-3-[(2-pyrrolidin-1-ylethylamino)methyl]benzenecarboximidamide
CID 107116916
3-[(1-cyclohexylethylamino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107116941

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-hydroxy-3-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]benzenecarboximidamide?
The IUPAC name of 2-fluoro-N'-hydroxy-3-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]benzenecarboximidamide (CID 106256785) is 2-fluoro-N'-hydroxy-3-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-N'-hydroxy-3-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for 2-fluoro-N'-hydroxy-3-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]benzenecarboximidamide is CN1CCC(NCc2cccc(/C(N)=N/O)c2F)C1=O.
What is the InChIKey of 2-fluoro-N'-hydroxy-3-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]benzenecarboximidamide?
The InChIKey is ZBGWEHOBXNHLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O2/c1-18-6-5-10(13(18)19)16-7-8-3-2-4-9(11(8)14)12(15)17-20/h2-4,10,16,20H,5-7H2,1H3,(H2,15,17).
What are the key properties of 2-fluoro-N'-hydroxy-3-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]benzenecarboximidamide?
2-fluoro-N'-hydroxy-3-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]benzenecarboximidamide has a molecular weight of 280.30 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-hydroxy-3-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 106256785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).