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

C11H12ClF3N2O — CID 61266948

IUPAC2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)Nc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C11H12ClF3N2O/c1-10(2,16)9(18)17-8-6(11(13,14)15)4-3-5-7(8)12/h3-5H,16H2,1-2H3,(H,17,18)
InChIKeyJMTGVJYKXJQUMZ-UHFFFAOYSA-N
MW280.68 g/mol
LogP3.03
Rot. Bonds2

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

2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide (PubChem CID 61266948) has the molecular formula C11H12ClF3N2O and a molecular weight of 280.68 g/mol. Its IUPAC name is 2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide
PubChem CID61266948
Molecular FormulaC11H12ClF3N2O
Molecular Weight280.68 g/mol
Exact Mass280.06
IUPAC Name2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)Nc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C11H12ClF3N2O/c1-10(2,16)9(18)17-8-6(11(13,14)15)4-3-5-7(8)12/h3-5H,16H2,1-2H3,(H,17,18)
InChIKeyJMTGVJYKXJQUMZ-UHFFFAOYSA-N
XLogP3.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-chloro-6-(trifluoromethyl)anilino]-2,2-dimethyl-3-oxopropanoic acid
CID 82813361
1-amino-3-[2-chloro-6-(trifluoromethyl)phenyl]urea
CID 43164115
N-[2-chloro-6-(trifluoromethyl)phenyl]propanamide
CID 64591639
1-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylguanidine
CID 62379408
3-[2-chloro-6-(trifluoromethyl)anilino]propanamide
CID 43152515
ethyl 2-[2-chloro-6-(trifluoromethyl)anilino]acetate
CID 28950851
3-[2-chloro-6-(trifluoromethyl)anilino]-2,2-dimethylpropan-1-ol
CID 81414844
2-(aminomethyl)-N-[2-chloro-6-(trifluoromethyl)phenyl]butanamide
CID 65225587
4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylbutanamide
CID 80542320
4-[2-chloro-6-(trifluoromethyl)anilino]-4-oxobutanoic acid
CID 43579669
N-[2-chloro-6-(trifluoromethyl)phenyl]-4-hydroxypentanamide
CID 79204589
methyl 3-[2-chloro-6-(trifluoromethyl)anilino]-2,2-dimethylpropanoate
CID 79629134

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide (CID 61266948) is 2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide is CC(C)(N)C(=O)Nc1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of 2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide?
The InChIKey is JMTGVJYKXJQUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2O/c1-10(2,16)9(18)17-8-6(11(13,14)15)4-3-5-7(8)12/h3-5H,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide?
2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide has a molecular weight of 280.68 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 61266948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).