2-(2,4,5-trichlorophenoxy)-N-(2,2,2-trifluoroethoxy)acetamide

C10H7Cl3F3NO3 — CID 81340218

IUPAC2-(2,4,5-trichlorophenoxy)-N-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)NOCC(F)(F)F
InChIInChI=1S/C10H7Cl3F3NO3/c11-5-1-7(13)8(2-6(5)12)19-3-9(18)17-20-4-10(14,15)16/h1-2H,3-4H2,(H,17,18)
InChIKeyVMNCXWIXGWVHKR-UHFFFAOYSA-N
MW352.52 g/mol
LogP3.64
Rot. Bonds5

About 2-(2,4,5-trichlorophenoxy)-N-(2,2,2-trifluoroethoxy)acetamide

2-(2,4,5-trichlorophenoxy)-N-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 81340218) has the molecular formula C10H7Cl3F3NO3 and a molecular weight of 352.52 g/mol. Its IUPAC name is 2-(2,4,5-trichlorophenoxy)-N-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound Name2-(2,4,5-trichlorophenoxy)-N-(2,2,2-trifluoroethoxy)acetamide
PubChem CID81340218
Molecular FormulaC10H7Cl3F3NO3
Molecular Weight352.52 g/mol
Exact Mass350.94
IUPAC Name2-(2,4,5-trichlorophenoxy)-N-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)NOCC(F)(F)F
InChIInChI=1S/C10H7Cl3F3NO3/c11-5-1-7(13)8(2-6(5)12)19-3-9(18)17-20-4-10(14,15)16/h1-2H,3-4H2,(H,17,18)
InChIKeyVMNCXWIXGWVHKR-UHFFFAOYSA-N
XLogP3.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]oxyacetamide
CID 112550685
2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethoxy)acetamide
CID 81340723
N-(1-amino-2-methylpropan-2-yl)-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride
CID 119524297
[2-(tert-butylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 8785732
2-(2,4,5-trichlorophenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 46548915
2-(2-cyanophenoxy)-N-(2,2,2-trifluoroethoxy)acetamide
CID 81343426
2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethoxy)acetamide
CID 81339847
3-[2-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]ethyldisulfanyl]propanoic acid;2,2,2-trifluoroacetic acid
CID 166422793
N-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 29274448
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]oxyacetic acid
CID 60668024
amino 2-(2,4,5-trichlorophenoxy)acetate
CID 56607198
N-(propan-2-ylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 4604451

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,5-trichlorophenoxy)-N-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of 2-(2,4,5-trichlorophenoxy)-N-(2,2,2-trifluoroethoxy)acetamide (CID 81340218) is 2-(2,4,5-trichlorophenoxy)-N-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for 2-(2,4,5-trichlorophenoxy)-N-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for 2-(2,4,5-trichlorophenoxy)-N-(2,2,2-trifluoroethoxy)acetamide is O=C(COc1cc(Cl)c(Cl)cc1Cl)NOCC(F)(F)F.
What is the InChIKey of 2-(2,4,5-trichlorophenoxy)-N-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is VMNCXWIXGWVHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl3F3NO3/c11-5-1-7(13)8(2-6(5)12)19-3-9(18)17-20-4-10(14,15)16/h1-2H,3-4H2,(H,17,18).
What are the key properties of 2-(2,4,5-trichlorophenoxy)-N-(2,2,2-trifluoroethoxy)acetamide?
2-(2,4,5-trichlorophenoxy)-N-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 352.52 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,5-trichlorophenoxy)-N-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 81340218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).