N-(2-hydroxyethyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide

C12H14F3NO2 — CID 60652590

IUPACN-(2-hydroxyethyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCN(CCO)C(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO2/c1-16(5-6-17)11(18)8-9-3-2-4-10(7-9)12(13,14)15/h2-4,7,17H,5-6,8H2,1H3
InChIKeyXAVNRMMESOGHES-UHFFFAOYSA-N
MW261.24 g/mol
LogP1.70
Rot. Bonds4

About N-(2-hydroxyethyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide

N-(2-hydroxyethyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 60652590) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID60652590
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC NameN-(2-hydroxyethyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCN(CCO)C(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO2/c1-16(5-6-17)11(18)8-9-3-2-4-10(7-9)12(13,14)15/h2-4,7,17H,5-6,8H2,1H3
InChIKeyXAVNRMMESOGHES-UHFFFAOYSA-N
XLogP1.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide (CID 60652590) is N-(2-hydroxyethyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide is CN(CCO)C(=O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-hydroxyethyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is XAVNRMMESOGHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-16(5-6-17)11(18)8-9-3-2-4-10(7-9)12(13,14)15/h2-4,7,17H,5-6,8H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide?
N-(2-hydroxyethyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 261.24 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 60652590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).