N-(3-ethoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide

C12H14F3NO3 — CID 87027979

IUPACN-(3-ethoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCOc1cccc(NC(=O)COCC(F)(F)F)c1
InChIInChI=1S/C12H14F3NO3/c1-2-19-10-5-3-4-9(6-10)16-11(17)7-18-8-12(13,14)15/h3-6H,2,7-8H2,1H3,(H,16,17)
InChIKeyHJOUQDSVBOHVNL-UHFFFAOYSA-N
MW277.24 g/mol
LogP2.60
Rot. Bonds6

About N-(3-ethoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(3-ethoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 87027979) has the molecular formula C12H14F3NO3 and a molecular weight of 277.24 g/mol. Its IUPAC name is N-(3-ethoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(3-ethoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID87027979
Molecular FormulaC12H14F3NO3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC NameN-(3-ethoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCOc1cccc(NC(=O)COCC(F)(F)F)c1
InChIInChI=1S/C12H14F3NO3/c1-2-19-10-5-3-4-9(6-10)16-11(17)7-18-8-12(13,14)15/h3-6H,2,7-8H2,1H3,(H,16,17)
InChIKeyHJOUQDSVBOHVNL-UHFFFAOYSA-N
XLogP2.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-(3-ethoxyphenyl)acetamide
CID 61062065
2-(3-ethoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 112977809
N-(3-ethoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833710
N-(3-ethoxyphenyl)-3-oxobutanamide
CID 3532534
3-(3-ethoxyanilino)-3-oxopropanoic acid
CID 62231404
1-(3-ethoxyphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 47332046
1-(3-ethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 878376
N-tert-butyl-3-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzamide
CID 87006551
4-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]pentanamide
CID 120560452
2-(2,4-ditert-butylphenoxy)-N-(3-ethoxyphenyl)acetamide
CID 17098209
N-(3-ethoxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17098223
6-amino-N-(3-ethoxyphenyl)-4,4-dimethylhexanamide
CID 65290383

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(3-ethoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 87027979) is N-(3-ethoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(3-ethoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(3-ethoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide is CCOc1cccc(NC(=O)COCC(F)(F)F)c1.
What is the InChIKey of N-(3-ethoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is HJOUQDSVBOHVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3/c1-2-19-10-5-3-4-9(6-10)16-11(17)7-18-8-12(13,14)15/h3-6H,2,7-8H2,1H3,(H,16,17).
What are the key properties of N-(3-ethoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(3-ethoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 277.24 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 87027979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).