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

C12H13ClF3NO — CID 715673

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C12H13ClF3NO/c1-11(2,3)10(18)17-7-4-5-9(13)8(6-7)12(14,15)16/h4-6H,1-3H3,(H,17,18)
InChIKeyPBVCSEASIYSIDH-UHFFFAOYSA-N
MW279.69 g/mol
LogP4.34
Rot. Bonds1

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

N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide (PubChem CID 715673) has the molecular formula C12H13ClF3NO and a molecular weight of 279.69 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
PubChem CID715673
Molecular FormulaC12H13ClF3NO
Molecular Weight279.69 g/mol
Exact Mass279.06
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C12H13ClF3NO/c1-11(2,3)10(18)17-7-4-5-9(13)8(6-7)12(14,15)16/h4-6H,1-3H3,(H,17,18)
InChIKeyPBVCSEASIYSIDH-UHFFFAOYSA-N
XLogP4.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide (CID 715673) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
The InChIKey is PBVCSEASIYSIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3NO/c1-11(2,3)10(18)17-7-4-5-9(13)8(6-7)12(14,15)16/h4-6H,1-3H3,(H,17,18).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide has a molecular weight of 279.69 g/mol, XLogP of 4.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 715673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).