2-[1-(2-chloro-4-fluorophenyl)ethylamino]oxyacetamide

C10H12ClFN2O2 — CID 112673275

IUPAC2-[1-(2-chloro-4-fluorophenyl)ethylamino]oxyacetamide
SMILESCC(NOCC(N)=O)c1ccc(F)cc1Cl
InChIInChI=1S/C10H12ClFN2O2/c1-6(14-16-5-10(13)15)8-3-2-7(12)4-9(8)11/h2-4,6,14H,5H2,1H3,(H2,13,15)
InChIKeyVCDCIOORXSURLP-UHFFFAOYSA-N
MW246.67 g/mol
LogP1.55
Rot. Bonds5

About 2-[1-(2-chloro-4-fluorophenyl)ethylamino]oxyacetamide

2-[1-(2-chloro-4-fluorophenyl)ethylamino]oxyacetamide (PubChem CID 112673275) has the molecular formula C10H12ClFN2O2 and a molecular weight of 246.67 g/mol. Its IUPAC name is 2-[1-(2-chloro-4-fluorophenyl)ethylamino]oxyacetamide.

Molecular Properties

Compound Name2-[1-(2-chloro-4-fluorophenyl)ethylamino]oxyacetamide
PubChem CID112673275
Molecular FormulaC10H12ClFN2O2
Molecular Weight246.67 g/mol
Exact Mass246.06
IUPAC Name2-[1-(2-chloro-4-fluorophenyl)ethylamino]oxyacetamide
SMILESCC(NOCC(N)=O)c1ccc(F)cc1Cl
InChIInChI=1S/C10H12ClFN2O2/c1-6(14-16-5-10(13)15)8-3-2-7(12)4-9(8)11/h2-4,6,14H,5H2,1H3,(H2,13,15)
InChIKeyVCDCIOORXSURLP-UHFFFAOYSA-N
XLogP1.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.67
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2,5-difluorophenyl)ethylamino]oxyacetamide
CID 112673156
methyl 2-[1-(2-chloro-4-fluorophenyl)ethylamino]propanoate
CID 60781995
methyl (2S)-2-[1-(2-chloro-4-fluorophenyl)ethylamino]-3-methylbutanoate
CID 43776132
4-amino-N-[1-(2-chloro-4-fluorophenyl)ethyl]butanamide
CID 119330269
2-(2-chloro-4-fluorophenyl)propanamide
CID 155026296
4-amino-N-[1-(2-chloro-4-fluorophenyl)ethyl]butanamide;hydrochloride
CID 119330268
4-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-2-ol
CID 64911537
2-[[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]amino]ethanol
CID 93286867
methyl (3R)-3-amino-3-(2-chloro-4-fluorophenyl)propanoate
CID 103694392
N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methoxyaniline
CID 43766019
N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 93281096
N-[1-(2-chloro-4-fluorophenyl)ethyl]methanethioamide
CID 57281551

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloro-4-fluorophenyl)ethylamino]oxyacetamide?
The IUPAC name of 2-[1-(2-chloro-4-fluorophenyl)ethylamino]oxyacetamide (CID 112673275) is 2-[1-(2-chloro-4-fluorophenyl)ethylamino]oxyacetamide.
What is the SMILES notation for 2-[1-(2-chloro-4-fluorophenyl)ethylamino]oxyacetamide?
The canonical SMILES for 2-[1-(2-chloro-4-fluorophenyl)ethylamino]oxyacetamide is CC(NOCC(N)=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-[1-(2-chloro-4-fluorophenyl)ethylamino]oxyacetamide?
The InChIKey is VCDCIOORXSURLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O2/c1-6(14-16-5-10(13)15)8-3-2-7(12)4-9(8)11/h2-4,6,14H,5H2,1H3,(H2,13,15).
What are the key properties of 2-[1-(2-chloro-4-fluorophenyl)ethylamino]oxyacetamide?
2-[1-(2-chloro-4-fluorophenyl)ethylamino]oxyacetamide has a molecular weight of 246.67 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloro-4-fluorophenyl)ethylamino]oxyacetamide is sourced from PubChem (CID 112673275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).