3-[4-chloro-3-(trifluoromethyl)-2-(2-trimethylsilylethynyl)phenyl]-2,2-dimethylpropanamide

C17H21ClF3NOSi — CID 91180065

IUPAC3-[4-chloro-3-(trifluoromethyl)-2-(2-trimethylsilylethynyl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(Cc1ccc(Cl)c(C(F)(F)F)c1C#C[Si](C)(C)C)C(N)=O
InChIInChI=1S/C17H21ClF3NOSi/c1-16(2,15(22)23)10-11-6-7-13(18)14(17(19,20)21)12(11)8-9-24(3,4)5/h6-7H,10H2,1-5H3,(H2,22,23)
InChIKeyPXOXUFWTHGTECQ-UHFFFAOYSA-N
MW375.89 g/mol
LogP4.64
Rot. Bonds3

About 3-[4-chloro-3-(trifluoromethyl)-2-(2-trimethylsilylethynyl)phenyl]-2,2-dimethylpropanamide

3-[4-chloro-3-(trifluoromethyl)-2-(2-trimethylsilylethynyl)phenyl]-2,2-dimethylpropanamide (PubChem CID 91180065) has the molecular formula C17H21ClF3NOSi and a molecular weight of 375.89 g/mol. Its IUPAC name is 3-[4-chloro-3-(trifluoromethyl)-2-(2-trimethylsilylethynyl)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[4-chloro-3-(trifluoromethyl)-2-(2-trimethylsilylethynyl)phenyl]-2,2-dimethylpropanamide
PubChem CID91180065
Molecular FormulaC17H21ClF3NOSi
Molecular Weight375.89 g/mol
Exact Mass375.10
IUPAC Name3-[4-chloro-3-(trifluoromethyl)-2-(2-trimethylsilylethynyl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(Cc1ccc(Cl)c(C(F)(F)F)c1C#C[Si](C)(C)C)C(N)=O
InChIInChI=1S/C17H21ClF3NOSi/c1-16(2,15(22)23)10-11-6-7-13(18)14(17(19,20)21)12(11)8-9-24(3,4)5/h6-7H,10H2,1-5H3,(H2,22,23)
InChIKeyPXOXUFWTHGTECQ-UHFFFAOYSA-N
XLogP4.64
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.89
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-[4-chloro-3-(trifluoromethyl)-2-(2-trimethylsilylethynyl)phenyl]-2,2-dimethylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-3-(trifluoromethyl)-2-(2-trimethylsilylethynyl)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-[4-chloro-3-(trifluoromethyl)-2-(2-trimethylsilylethynyl)phenyl]-2,2-dimethylpropanamide (CID 91180065) is 3-[4-chloro-3-(trifluoromethyl)-2-(2-trimethylsilylethynyl)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[4-chloro-3-(trifluoromethyl)-2-(2-trimethylsilylethynyl)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[4-chloro-3-(trifluoromethyl)-2-(2-trimethylsilylethynyl)phenyl]-2,2-dimethylpropanamide is CC(C)(Cc1ccc(Cl)c(C(F)(F)F)c1C#C[Si](C)(C)C)C(N)=O.
What is the InChIKey of 3-[4-chloro-3-(trifluoromethyl)-2-(2-trimethylsilylethynyl)phenyl]-2,2-dimethylpropanamide?
The InChIKey is PXOXUFWTHGTECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClF3NOSi/c1-16(2,15(22)23)10-11-6-7-13(18)14(17(19,20)21)12(11)8-9-24(3,4)5/h6-7H,10H2,1-5H3,(H2,22,23).
What are the key properties of 3-[4-chloro-3-(trifluoromethyl)-2-(2-trimethylsilylethynyl)phenyl]-2,2-dimethylpropanamide?
3-[4-chloro-3-(trifluoromethyl)-2-(2-trimethylsilylethynyl)phenyl]-2,2-dimethylpropanamide has a molecular weight of 375.89 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-3-(trifluoromethyl)-2-(2-trimethylsilylethynyl)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 91180065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).