2-[3-chloro-5-methyl-2-(2,2,2-trifluoroethoxymethyl)phenyl]acetamide

C12H13ClF3NO2 — CID 178019183

IUPAC2-[3-chloro-5-methyl-2-(2,2,2-trifluoroethoxymethyl)phenyl]acetamide
SMILESCc1cc(Cl)c(COCC(F)(F)F)c(CC(N)=O)c1
InChIInChI=1S/C12H13ClF3NO2/c1-7-2-8(4-11(17)18)9(10(13)3-7)5-19-6-12(14,15)16/h2-3H,4-6H2,1H3,(H2,17,18)
InChIKeyXQLBXIFMXCOUEC-UHFFFAOYSA-N
MW295.69 g/mol
LogP2.76
Rot. Bonds5

About 2-[3-chloro-5-methyl-2-(2,2,2-trifluoroethoxymethyl)phenyl]acetamide

2-[3-chloro-5-methyl-2-(2,2,2-trifluoroethoxymethyl)phenyl]acetamide (PubChem CID 178019183) has the molecular formula C12H13ClF3NO2 and a molecular weight of 295.69 g/mol. Its IUPAC name is 2-[3-chloro-5-methyl-2-(2,2,2-trifluoroethoxymethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-chloro-5-methyl-2-(2,2,2-trifluoroethoxymethyl)phenyl]acetamide
PubChem CID178019183
Molecular FormulaC12H13ClF3NO2
Molecular Weight295.69 g/mol
Exact Mass295.06
IUPAC Name2-[3-chloro-5-methyl-2-(2,2,2-trifluoroethoxymethyl)phenyl]acetamide
SMILESCc1cc(Cl)c(COCC(F)(F)F)c(CC(N)=O)c1
InChIInChI=1S/C12H13ClF3NO2/c1-7-2-8(4-11(17)18)9(10(13)3-7)5-19-6-12(14,15)16/h2-3H,4-6H2,1H3,(H2,17,18)
InChIKeyXQLBXIFMXCOUEC-UHFFFAOYSA-N
XLogP2.76
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3-chloro-5-methyl-2-(2,2,2-trifluoroethoxymethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 69343095
CID 69343095
CID 69513560
CID 69513560
CID 126650456
CID 126650456

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-methyl-2-(2,2,2-trifluoroethoxymethyl)phenyl]acetamide?
The IUPAC name of 2-[3-chloro-5-methyl-2-(2,2,2-trifluoroethoxymethyl)phenyl]acetamide (CID 178019183) is 2-[3-chloro-5-methyl-2-(2,2,2-trifluoroethoxymethyl)phenyl]acetamide.
What is the SMILES notation for 2-[3-chloro-5-methyl-2-(2,2,2-trifluoroethoxymethyl)phenyl]acetamide?
The canonical SMILES for 2-[3-chloro-5-methyl-2-(2,2,2-trifluoroethoxymethyl)phenyl]acetamide is Cc1cc(Cl)c(COCC(F)(F)F)c(CC(N)=O)c1.
What is the InChIKey of 2-[3-chloro-5-methyl-2-(2,2,2-trifluoroethoxymethyl)phenyl]acetamide?
The InChIKey is XQLBXIFMXCOUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3NO2/c1-7-2-8(4-11(17)18)9(10(13)3-7)5-19-6-12(14,15)16/h2-3H,4-6H2,1H3,(H2,17,18).
What are the key properties of 2-[3-chloro-5-methyl-2-(2,2,2-trifluoroethoxymethyl)phenyl]acetamide?
2-[3-chloro-5-methyl-2-(2,2,2-trifluoroethoxymethyl)phenyl]acetamide has a molecular weight of 295.69 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-methyl-2-(2,2,2-trifluoroethoxymethyl)phenyl]acetamide is sourced from PubChem (CID 178019183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).