N-[6-chloro-2-methyl-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide

C13H15ClF3NO — CID 11140927

IUPACN-[6-chloro-2-methyl-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
SMILESCc1c(C(F)(F)F)ccc(Cl)c1NC(=O)C(C)(C)C
InChIInChI=1S/C13H15ClF3NO/c1-7-8(13(15,16)17)5-6-9(14)10(7)18-11(19)12(2,3)4/h5-6H,1-4H3,(H,18,19)
InChIKeyWLTQGJIMIHBTHK-UHFFFAOYSA-N
MW293.72 g/mol
LogP4.65
Rot. Bonds1

About N-[6-chloro-2-methyl-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide

N-[6-chloro-2-methyl-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide (PubChem CID 11140927) has the molecular formula C13H15ClF3NO and a molecular weight of 293.72 g/mol. Its IUPAC name is N-[6-chloro-2-methyl-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-chloro-2-methyl-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
PubChem CID11140927
Molecular FormulaC13H15ClF3NO
Molecular Weight293.72 g/mol
Exact Mass293.08
IUPAC NameN-[6-chloro-2-methyl-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
SMILESCc1c(C(F)(F)F)ccc(Cl)c1NC(=O)C(C)(C)C
InChIInChI=1S/C13H15ClF3NO/c1-7-8(13(15,16)17)5-6-9(14)10(7)18-11(19)12(2,3)4/h5-6H,1-4H3,(H,18,19)
InChIKeyWLTQGJIMIHBTHK-UHFFFAOYSA-N
XLogP4.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide
CID 61266948
3-[2-chloro-6-(trifluoromethyl)anilino]-2,2-dimethyl-3-oxopropanoic acid
CID 82813361
1,2-dichloro-3-methyl-4-(trifluoromethyl)benzene
CID 14745915
2,2-dimethyl-N-[2-(trideuteriomethyl)-3-(trifluoromethyl)phenyl]propanamide
CID 46782328
N-(3,5-dichloro-4-pyridinyl)-2,2-dimethylpropanamide
CID 59829116
N-[2,6-dimethyl-3,5-bis(trifluoromethyl)phenyl]acetamide
CID 4737648
N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 59677530
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 52774182
N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 33165211
2-chloro-3-(2,2-dimethylpropanoylamino)-5-fluoro-4-methylbenzoic acid
CID 88546378
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-2-(methylamino)propanamide
CID 62834505
N-[2-(3-hydroxyoxiran-2-yl)-6-methoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 162604762

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-2-methyl-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[6-chloro-2-methyl-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide (CID 11140927) is N-[6-chloro-2-methyl-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[6-chloro-2-methyl-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-chloro-2-methyl-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide is Cc1c(C(F)(F)F)ccc(Cl)c1NC(=O)C(C)(C)C.
What is the InChIKey of N-[6-chloro-2-methyl-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
The InChIKey is WLTQGJIMIHBTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3NO/c1-7-8(13(15,16)17)5-6-9(14)10(7)18-11(19)12(2,3)4/h5-6H,1-4H3,(H,18,19).
What are the key properties of N-[6-chloro-2-methyl-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
N-[6-chloro-2-methyl-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide has a molecular weight of 293.72 g/mol, XLogP of 4.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-2-methyl-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 11140927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).