2-ethoxy-N-(2,3,5,6-tetrafluorophenyl)acetamide

C10H9F4NO2 — CID 107646149

IUPAC2-ethoxy-N-(2,3,5,6-tetrafluorophenyl)acetamide
SMILESCCOCC(=O)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C10H9F4NO2/c1-2-17-4-7(16)15-10-8(13)5(11)3-6(12)9(10)14/h3H,2,4H2,1H3,(H,15,16)
InChIKeyKWIXTFCJKAYZSD-UHFFFAOYSA-N
MW251.18 g/mol
LogP2.22
Rot. Bonds4

About 2-ethoxy-N-(2,3,5,6-tetrafluorophenyl)acetamide

2-ethoxy-N-(2,3,5,6-tetrafluorophenyl)acetamide (PubChem CID 107646149) has the molecular formula C10H9F4NO2 and a molecular weight of 251.18 g/mol. Its IUPAC name is 2-ethoxy-N-(2,3,5,6-tetrafluorophenyl)acetamide.

Molecular Properties

Compound Name2-ethoxy-N-(2,3,5,6-tetrafluorophenyl)acetamide
PubChem CID107646149
Molecular FormulaC10H9F4NO2
Molecular Weight251.18 g/mol
Exact Mass251.06
IUPAC Name2-ethoxy-N-(2,3,5,6-tetrafluorophenyl)acetamide
SMILESCCOCC(=O)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C10H9F4NO2/c1-2-17-4-7(16)15-10-8(13)5(11)3-6(12)9(10)14/h3H,2,4H2,1H3,(H,15,16)
InChIKeyKWIXTFCJKAYZSD-UHFFFAOYSA-N
XLogP2.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.18
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-(2-fluoro-6-methylphenyl)acetamide
CID 115909342
N-(2-bromo-6-fluorophenyl)-2-ethoxyacetamide
CID 71859325
2,2-dimethyl-4-oxo-4-(2,3,5,6-tetrafluoroanilino)butanoic acid
CID 107641460
N-[3,5-difluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-ethoxyacetamide
CID 75502045
3-[(2-ethoxyacetyl)amino]-4-fluorobenzamide
CID 60785607
N-(2,6-diethylphenyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 7467725
ethyl 2-[(2,3,5,6-tetrafluorophenyl)carbamoylamino]acetate
CID 103601355
4-[(2-ethoxyacetyl)amino]-3,5-diethylbenzenesulfonyl chloride
CID 43098447
tert-butyl N-[5-[(2-ethoxyacetyl)amino]-2,3,4-trifluorophenyl]carbamate
CID 136562269
2-[(2-ethoxyacetyl)amino]-3,5-dimethylbenzoic acid
CID 55176727
4-[(2-ethoxyacetyl)amino]-3,5-dimethylbenzenesulfonyl chloride
CID 43097969
2-ethoxy-N-(3-hydroxyphenyl)acetamide
CID 28780663

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(2,3,5,6-tetrafluorophenyl)acetamide?
The IUPAC name of 2-ethoxy-N-(2,3,5,6-tetrafluorophenyl)acetamide (CID 107646149) is 2-ethoxy-N-(2,3,5,6-tetrafluorophenyl)acetamide.
What is the SMILES notation for 2-ethoxy-N-(2,3,5,6-tetrafluorophenyl)acetamide?
The canonical SMILES for 2-ethoxy-N-(2,3,5,6-tetrafluorophenyl)acetamide is CCOCC(=O)Nc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 2-ethoxy-N-(2,3,5,6-tetrafluorophenyl)acetamide?
The InChIKey is KWIXTFCJKAYZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NO2/c1-2-17-4-7(16)15-10-8(13)5(11)3-6(12)9(10)14/h3H,2,4H2,1H3,(H,15,16).
What are the key properties of 2-ethoxy-N-(2,3,5,6-tetrafluorophenyl)acetamide?
2-ethoxy-N-(2,3,5,6-tetrafluorophenyl)acetamide has a molecular weight of 251.18 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(2,3,5,6-tetrafluorophenyl)acetamide is sourced from PubChem (CID 107646149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).