2-[(3,5-difluorophenyl)methylamino]oxyacetamide

C9H10F2N2O2 — CID 105403314

IUPAC2-[(3,5-difluorophenyl)methylamino]oxyacetamide
SMILESNC(=O)CONCc1cc(F)cc(F)c1
InChIInChI=1S/C9H10F2N2O2/c10-7-1-6(2-8(11)3-7)4-13-15-5-9(12)14/h1-3,13H,4-5H2,(H2,12,14)
InChIKeyGLLOBGSNJRDDDY-UHFFFAOYSA-N
MW216.19 g/mol
LogP0.47
Rot. Bonds5

About 2-[(3,5-difluorophenyl)methylamino]oxyacetamide

2-[(3,5-difluorophenyl)methylamino]oxyacetamide (PubChem CID 105403314) has the molecular formula C9H10F2N2O2 and a molecular weight of 216.19 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methylamino]oxyacetamide.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methylamino]oxyacetamide
PubChem CID105403314
Molecular FormulaC9H10F2N2O2
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Name2-[(3,5-difluorophenyl)methylamino]oxyacetamide
SMILESNC(=O)CONCc1cc(F)cc(F)c1
InChIInChI=1S/C9H10F2N2O2/c10-7-1-6(2-8(11)3-7)4-13-15-5-9(12)14/h1-3,13H,4-5H2,(H2,12,14)
InChIKeyGLLOBGSNJRDDDY-UHFFFAOYSA-N
XLogP0.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethoxy[(4-fluorophenyl)methyl]amine
CID 12146891
3-(Benzylamino)oxy-2-fluoropropan-1-amine
CID 21653004
N-ethenoxy-1-(4-fluorophenyl)methanamine
CID 23559810
1-phenyl-N-(2,2,2-trifluoroethoxy)methanamine
CID 53803007
N-ethoxy-1-(2-fluorophenyl)methanamine
CID 60702465
1-(2,5-difluorophenyl)-N-ethoxymethanamine
CID 60970416
N-(fluoromethoxy)-1-(4-fluorophenyl)methanamine
CID 87388586
N-(2-fluoroethoxy)-1-phenylmethanamine
CID 88959648
1-(4-fluorophenyl)-N-propoxymethanamine
CID 141408435
N-methoxy-1-(2,4,6-trifluorophenyl)methanamine
CID 147218980
2-[(4-Fluorophenyl)methylamino]oxyacetic acid
CID 21947376
1-(2,3-difluorophenyl)-N-ethoxymethanamine
CID 60702415

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methylamino]oxyacetamide?
The IUPAC name of 2-[(3,5-difluorophenyl)methylamino]oxyacetamide (CID 105403314) is 2-[(3,5-difluorophenyl)methylamino]oxyacetamide.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methylamino]oxyacetamide?
The canonical SMILES for 2-[(3,5-difluorophenyl)methylamino]oxyacetamide is NC(=O)CONCc1cc(F)cc(F)c1.
What is the InChIKey of 2-[(3,5-difluorophenyl)methylamino]oxyacetamide?
The InChIKey is GLLOBGSNJRDDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O2/c10-7-1-6(2-8(11)3-7)4-13-15-5-9(12)14/h1-3,13H,4-5H2,(H2,12,14).
What are the key properties of 2-[(3,5-difluorophenyl)methylamino]oxyacetamide?
2-[(3,5-difluorophenyl)methylamino]oxyacetamide has a molecular weight of 216.19 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenyl)methylamino]oxyacetamide is sourced from PubChem (CID 105403314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).