N-[2-bromo-4-(trifluoromethoxy)phenyl]-2-methylpropanamide

C11H11BrF3NO2 — CID 22048751

IUPACN-[2-bromo-4-(trifluoromethoxy)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(OC(F)(F)F)cc1Br
InChIInChI=1S/C11H11BrF3NO2/c1-6(2)10(17)16-9-4-3-7(5-8(9)12)18-11(13,14)15/h3-6H,1-2H3,(H,16,17)
InChIKeyKUVAWUAEMSDAII-UHFFFAOYSA-N
MW326.11 g/mol
LogP3.94
Rot. Bonds3

About N-[2-bromo-4-(trifluoromethoxy)phenyl]-2-methylpropanamide

N-[2-bromo-4-(trifluoromethoxy)phenyl]-2-methylpropanamide (PubChem CID 22048751) has the molecular formula C11H11BrF3NO2 and a molecular weight of 326.11 g/mol. Its IUPAC name is N-[2-bromo-4-(trifluoromethoxy)phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-bromo-4-(trifluoromethoxy)phenyl]-2-methylpropanamide
PubChem CID22048751
Molecular FormulaC11H11BrF3NO2
Molecular Weight326.11 g/mol
Exact Mass324.99
IUPAC NameN-[2-bromo-4-(trifluoromethoxy)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(OC(F)(F)F)cc1Br
InChIInChI=1S/C11H11BrF3NO2/c1-6(2)10(17)16-9-4-3-7(5-8(9)12)18-11(13,14)15/h3-6H,1-2H3,(H,16,17)
InChIKeyKUVAWUAEMSDAII-UHFFFAOYSA-N
XLogP3.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.11
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-bromo-4-(trifluoromethoxy)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22621238
1-[2-bromo-4-(trifluoromethoxy)phenyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 97327842
N-[2-bromo-4-(trifluoromethoxy)phenyl]ethanesulfonamide
CID 171393233
1-(2-bromo-4-methoxyphenyl)-3-propan-2-ylurea
CID 86768816
N-[2-amino-4-(trifluoromethoxy)phenyl]acetamide
CID 14836859
2-[2-bromo-4-(trifluoromethoxy)phenoxy]-N-propan-2-ylacetamide
CID 165412358
2-bromo-1-(propan-2-yloxymethyl)-4-(trifluoromethoxy)benzene
CID 167714108
2-[[2-[4-[3-bromo-4-(2-methylpropanoylamino)phenoxy]-3,5-dichlorophenyl]acetyl]amino]propanoic acid
CID 18448802
2-bromo-1-methyl-4-(trifluoromethoxy)benzene
CID 54333957
2-methyl-N-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]propanamide
CID 71415618
(2S)-2-amino-3-[2-bromo-4-(trifluoromethoxy)phenyl]propanoic acid
CID 165357050
N-(2-bromo-4-methylphenyl)-2-(3,4-difluorophenoxy)propanamide
CID 55424008

Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-4-(trifluoromethoxy)phenyl]-2-methylpropanamide?
The IUPAC name of N-[2-bromo-4-(trifluoromethoxy)phenyl]-2-methylpropanamide (CID 22048751) is N-[2-bromo-4-(trifluoromethoxy)phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-bromo-4-(trifluoromethoxy)phenyl]-2-methylpropanamide?
The canonical SMILES for N-[2-bromo-4-(trifluoromethoxy)phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(OC(F)(F)F)cc1Br.
What is the InChIKey of N-[2-bromo-4-(trifluoromethoxy)phenyl]-2-methylpropanamide?
The InChIKey is KUVAWUAEMSDAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3NO2/c1-6(2)10(17)16-9-4-3-7(5-8(9)12)18-11(13,14)15/h3-6H,1-2H3,(H,16,17).
What are the key properties of N-[2-bromo-4-(trifluoromethoxy)phenyl]-2-methylpropanamide?
N-[2-bromo-4-(trifluoromethoxy)phenyl]-2-methylpropanamide has a molecular weight of 326.11 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-4-(trifluoromethoxy)phenyl]-2-methylpropanamide is sourced from PubChem (CID 22048751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).