N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide

C11H12F3NO2 — CID 685244

IUPACN-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide
SMILESCCOc1ccc(C(F)(F)F)cc1NC(C)=O
InChIInChI=1S/C11H12F3NO2/c1-3-17-10-5-4-8(11(12,13)14)6-9(10)15-7(2)16/h4-6H,3H2,1-2H3,(H,15,16)
InChIKeyMSOKXELFIUEJIB-UHFFFAOYSA-N
MW247.22 g/mol
LogP3.06
Rot. Bonds3

About N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide

N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 685244) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide
PubChem CID685244
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC NameN-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide
SMILESCCOc1ccc(C(F)(F)F)cc1NC(C)=O
InChIInChI=1S/C11H12F3NO2/c1-3-17-10-5-4-8(11(12,13)14)6-9(10)15-7(2)16/h4-6H,3H2,1-2H3,(H,15,16)
InChIKeyMSOKXELFIUEJIB-UHFFFAOYSA-N
XLogP3.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide (CID 685244) is N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide is CCOc1ccc(C(F)(F)F)cc1NC(C)=O.
What is the InChIKey of N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is MSOKXELFIUEJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-3-17-10-5-4-8(11(12,13)14)6-9(10)15-7(2)16/h4-6H,3H2,1-2H3,(H,15,16).
What are the key properties of N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide?
N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 247.22 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 685244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).