N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide

C11H11ClF3NO — CID 64593214

IUPACN-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C11H11ClF3NO/c1-6(2)10(17)16-9-7(11(13,14)15)4-3-5-8(9)12/h3-6H,1-2H3,(H,16,17)
InChIKeyMCCSJZWJUOJMPS-UHFFFAOYSA-N
MW265.66 g/mol
LogP3.95
Rot. Bonds2

About N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide

N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide (PubChem CID 64593214) has the molecular formula C11H11ClF3NO and a molecular weight of 265.66 g/mol. Its IUPAC name is N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide
PubChem CID64593214
Molecular FormulaC11H11ClF3NO
Molecular Weight265.66 g/mol
Exact Mass265.05
IUPAC NameN-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C11H11ClF3NO/c1-6(2)10(17)16-9-7(11(13,14)15)4-3-5-8(9)12/h3-6H,1-2H3,(H,16,17)
InChIKeyMCCSJZWJUOJMPS-UHFFFAOYSA-N
XLogP3.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.66
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide 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 N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide?
The IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide (CID 64593214) is N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide?
The canonical SMILES for N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide?
The InChIKey is MCCSJZWJUOJMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO/c1-6(2)10(17)16-9-7(11(13,14)15)4-3-5-8(9)12/h3-6H,1-2H3,(H,16,17).
What are the key properties of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide?
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide has a molecular weight of 265.66 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 64593214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).