2-(2-carbamimidoyl-3-fluorophenoxy)-N,N-dimethylacetamide

C11H14FN3O2 — CID 82240685

IUPAC2-(2-carbamimidoyl-3-fluorophenoxy)-N,N-dimethylacetamide
SMILES[H]/N=C(\N)c1c(F)cccc1OCC(=O)N(C)C
InChIInChI=1S/C11H14FN3O2/c1-15(2)9(16)6-17-8-5-3-4-7(12)10(8)11(13)14/h3-5H,6H2,1-2H3,(H3,13,14)
InChIKeyJDPDWCGJUONLOY-UHFFFAOYSA-N
MW239.25 g/mol
LogP0.58
Rot. Bonds4

About 2-(2-carbamimidoyl-3-fluorophenoxy)-N,N-dimethylacetamide

2-(2-carbamimidoyl-3-fluorophenoxy)-N,N-dimethylacetamide (PubChem CID 82240685) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is 2-(2-carbamimidoyl-3-fluorophenoxy)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(2-carbamimidoyl-3-fluorophenoxy)-N,N-dimethylacetamide
PubChem CID82240685
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name2-(2-carbamimidoyl-3-fluorophenoxy)-N,N-dimethylacetamide
SMILES[H]/N=C(\N)c1c(F)cccc1OCC(=O)N(C)C
InChIInChI=1S/C11H14FN3O2/c1-15(2)9(16)6-17-8-5-3-4-7(12)10(8)11(13)14/h3-5H,6H2,1-2H3,(H3,13,14)
InChIKeyJDPDWCGJUONLOY-UHFFFAOYSA-N
XLogP0.58
TPSA79.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-6-(3,3,3-trifluoropropoxy)benzenecarboximidamide
CID 64566908
2-(2-carbamimidoyl-6-methoxyphenoxy)-N,N-dimethylacetamide
CID 82253483
2-(2-carbamothioyl-3-chlorophenoxy)-N,N-dimethylacetamide
CID 113277323
2-fluoro-6-[(3-methylphenyl)methoxy]benzenecarboximidamide
CID 43609327
2-butan-2-yloxy-6-fluorobenzenecarboximidamide
CID 43609351
2-fluoro-6-(2-methylphenoxy)benzenecarboximidamide
CID 79520393
2-fluoro-6-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 64748711
2-(4-ethylphenoxy)-6-fluorobenzenecarboximidamide
CID 79520315
2-[(3,4-dichlorophenyl)methoxy]-6-fluorobenzenecarboximidamide
CID 43609384
[2-(dimethylamino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 17426420
2-fluoro-6-(3-methyl-2-oxobutoxy)benzamide
CID 79395775
2-fluoro-6-(oxolan-3-ylmethoxy)benzenecarboximidamide
CID 54977390

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamimidoyl-3-fluorophenoxy)-N,N-dimethylacetamide?
The IUPAC name of 2-(2-carbamimidoyl-3-fluorophenoxy)-N,N-dimethylacetamide (CID 82240685) is 2-(2-carbamimidoyl-3-fluorophenoxy)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(2-carbamimidoyl-3-fluorophenoxy)-N,N-dimethylacetamide?
The canonical SMILES for 2-(2-carbamimidoyl-3-fluorophenoxy)-N,N-dimethylacetamide is [H]/N=C(\N)c1c(F)cccc1OCC(=O)N(C)C.
What is the InChIKey of 2-(2-carbamimidoyl-3-fluorophenoxy)-N,N-dimethylacetamide?
The InChIKey is JDPDWCGJUONLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c1-15(2)9(16)6-17-8-5-3-4-7(12)10(8)11(13)14/h3-5H,6H2,1-2H3,(H3,13,14).
What are the key properties of 2-(2-carbamimidoyl-3-fluorophenoxy)-N,N-dimethylacetamide?
2-(2-carbamimidoyl-3-fluorophenoxy)-N,N-dimethylacetamide has a molecular weight of 239.25 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamimidoyl-3-fluorophenoxy)-N,N-dimethylacetamide is sourced from PubChem (CID 82240685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).