N-[3-bromo-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide

C11H11BrF3NO2 — CID 103430139

IUPACN-[3-bromo-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
SMILESCC(C)(O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C11H11BrF3NO2/c1-10(2,18)9(17)16-8-4-6(11(13,14)15)3-7(12)5-8/h3-5,18H,1-2H3,(H,16,17)
InChIKeyQYGTVNOQAMURGN-UHFFFAOYSA-N
MW326.11 g/mol
LogP3.18
Rot. Bonds2

About N-[3-bromo-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide

N-[3-bromo-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide (PubChem CID 103430139) has the molecular formula C11H11BrF3NO2 and a molecular weight of 326.11 g/mol. Its IUPAC name is N-[3-bromo-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-bromo-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
PubChem CID103430139
Molecular FormulaC11H11BrF3NO2
Molecular Weight326.11 g/mol
Exact Mass324.99
IUPAC NameN-[3-bromo-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
SMILESCC(C)(O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C11H11BrF3NO2/c1-10(2,18)9(17)16-8-4-6(11(13,14)15)3-7(12)5-8/h3-5,18H,1-2H3,(H,16,17)
InChIKeyQYGTVNOQAMURGN-UHFFFAOYSA-N
XLogP3.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.11
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-[3-bromo-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide (CID 103430139) is N-[3-bromo-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-[3-bromo-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-[3-bromo-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide is CC(C)(O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-bromo-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide?
The InChIKey is QYGTVNOQAMURGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3NO2/c1-10(2,18)9(17)16-8-4-6(11(13,14)15)3-7(12)5-8/h3-5,18H,1-2H3,(H,16,17).
What are the key properties of N-[3-bromo-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide?
N-[3-bromo-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide has a molecular weight of 326.11 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 103430139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).