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

C13H15ClF3NO — CID 91463449

IUPAC3-[4-chloro-2-methyl-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
SMILESCc1c(CC(C)(C)C(N)=O)ccc(Cl)c1C(F)(F)F
InChIInChI=1S/C13H15ClF3NO/c1-7-8(6-12(2,3)11(18)19)4-5-9(14)10(7)13(15,16)17/h4-5H,6H2,1-3H3,(H2,18,19)
InChIKeyGNPUQWGSOMJBRG-UHFFFAOYSA-N
MW293.72 g/mol
LogP3.72
Rot. Bonds3

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

3-[4-chloro-2-methyl-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide (PubChem CID 91463449) has the molecular formula C13H15ClF3NO and a molecular weight of 293.72 g/mol. Its IUPAC name is 3-[4-chloro-2-methyl-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[4-chloro-2-methyl-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
PubChem CID91463449
Molecular FormulaC13H15ClF3NO
Molecular Weight293.72 g/mol
Exact Mass293.08
IUPAC Name3-[4-chloro-2-methyl-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
SMILESCc1c(CC(C)(C)C(N)=O)ccc(Cl)c1C(F)(F)F
InChIInChI=1S/C13H15ClF3NO/c1-7-8(6-12(2,3)11(18)19)4-5-9(14)10(7)13(15,16)17/h4-5H,6H2,1-3H3,(H2,18,19)
InChIKeyGNPUQWGSOMJBRG-UHFFFAOYSA-N
XLogP3.72
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-2-methyl-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-[4-chloro-2-methyl-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide (CID 91463449) is 3-[4-chloro-2-methyl-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[4-chloro-2-methyl-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[4-chloro-2-methyl-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide is Cc1c(CC(C)(C)C(N)=O)ccc(Cl)c1C(F)(F)F.
What is the InChIKey of 3-[4-chloro-2-methyl-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
The InChIKey is GNPUQWGSOMJBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3NO/c1-7-8(6-12(2,3)11(18)19)4-5-9(14)10(7)13(15,16)17/h4-5H,6H2,1-3H3,(H2,18,19).
What are the key properties of 3-[4-chloro-2-methyl-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
3-[4-chloro-2-methyl-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide has a molecular weight of 293.72 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-2-methyl-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 91463449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).