N-(2-ethoxy-4-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide

C12H14F4N2O2 — CID 78957990

IUPACN-(2-ethoxy-4-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCOc1cc(F)ccc1NC(=O)CNCC(F)(F)F
InChIInChI=1S/C12H14F4N2O2/c1-2-20-10-5-8(13)3-4-9(10)18-11(19)6-17-7-12(14,15)16/h3-5,17H,2,6-7H2,1H3,(H,18,19)
InChIKeyWPVTYDHELBKVIC-UHFFFAOYSA-N
MW294.25 g/mol
LogP2.31
Rot. Bonds6

About N-(2-ethoxy-4-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(2-ethoxy-4-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78957990) has the molecular formula C12H14F4N2O2 and a molecular weight of 294.25 g/mol. Its IUPAC name is N-(2-ethoxy-4-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(2-ethoxy-4-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78957990
Molecular FormulaC12H14F4N2O2
Molecular Weight294.25 g/mol
Exact Mass294.10
IUPAC NameN-(2-ethoxy-4-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCOc1cc(F)ccc1NC(=O)CNCC(F)(F)F
InChIInChI=1S/C12H14F4N2O2/c1-2-20-10-5-8(13)3-4-9(10)18-11(19)6-17-7-12(14,15)16/h3-5,17H,2,6-7H2,1H3,(H,18,19)
InChIKeyWPVTYDHELBKVIC-UHFFFAOYSA-N
XLogP2.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluoro-2-iodophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79766531
N-(2-ethoxy-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604524
N-(2-methoxy-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958038
5-(2-ethoxy-4-fluoroanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 47062060
N-(2-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 28595958
2-(4-aminopiperidin-1-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide
CID 79322871
1-(2-ethoxy-4-fluorophenyl)-3-methoxyurea
CID 75415528
5-amino-N-(2-ethoxy-4-fluorophenyl)hexanamide
CID 82851234
N-(2-ethoxy-4-fluorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 87006231
N-(2-ethoxy-4-fluorophenyl)-2-naphthalen-1-yloxyacetamide
CID 112837285
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide
CID 119718548
3,5-dibromo-N-(2-ethoxy-4-fluorophenyl)benzamide
CID 107980262

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-4-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(2-ethoxy-4-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78957990) is N-(2-ethoxy-4-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(2-ethoxy-4-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(2-ethoxy-4-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide is CCOc1cc(F)ccc1NC(=O)CNCC(F)(F)F.
What is the InChIKey of N-(2-ethoxy-4-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is WPVTYDHELBKVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2O2/c1-2-20-10-5-8(13)3-4-9(10)18-11(19)6-17-7-12(14,15)16/h3-5,17H,2,6-7H2,1H3,(H,18,19).
What are the key properties of N-(2-ethoxy-4-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(2-ethoxy-4-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 294.25 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-4-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78957990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).