N-(4-bromo-2-methylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

C11H11BrF3NO2 — CID 22287259

IUPACN-(4-bromo-2-methylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESCc1cc(Br)ccc1NC(=O)C(C)(O)C(F)(F)F
InChIInChI=1S/C11H11BrF3NO2/c1-6-5-7(12)3-4-8(6)16-9(17)10(2,18)11(13,14)15/h3-5,18H,1-2H3,(H,16,17)
InChIKeyCUZVTTHASHRQNV-UHFFFAOYSA-N
MW326.11 g/mol
LogP3.01
Rot. Bonds2

About N-(4-bromo-2-methylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

N-(4-bromo-2-methylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (PubChem CID 22287259) has the molecular formula C11H11BrF3NO2 and a molecular weight of 326.11 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
PubChem CID22287259
Molecular FormulaC11H11BrF3NO2
Molecular Weight326.11 g/mol
Exact Mass324.99
IUPAC NameN-(4-bromo-2-methylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESCc1cc(Br)ccc1NC(=O)C(C)(O)C(F)(F)F
InChIInChI=1S/C11H11BrF3NO2/c1-6-5-7(12)3-4-8(6)16-9(17)10(2,18)11(13,14)15/h3-5,18H,1-2H3,(H,16,17)
InChIKeyCUZVTTHASHRQNV-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(4-bromo-2-methylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromo-2-methylphenyl)-2,2-dimethylbutanamide
CID 4634905
3,3,3-trifluoro-2-hydroxy-2-methyl-N-[2-methyl-4-[(E)-2-phenylethenyl]phenyl]propanamide
CID 174444790
2-amino-N-(4-bromo-2-methylphenyl)-2-methylbutanamide
CID 79791633
(2R)-N-[4-(benzenesulfonyl)-2-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 69113195
N-(4-bromo-2-methylphenyl)-3,3,3-trifluoropropanamide
CID 24701652
N-(4-bromo-2-fluorophenyl)-2-fluoro-2-methylpropanamide
CID 130165280
2-amino-N-(4-bromo-2-methylphenyl)-2-cyclopropylpropanamide
CID 60866775
2-amino-N-(4-bromo-2-methylphenyl)-2-methylpentanamide
CID 60848199
3-chloro-N-(4-chloro-2-methylphenyl)-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]benzamide
CID 90468953
N-[2-bromo-4-(trifluoromethoxy)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22621238
N-(4-bromo-2-methylphenyl)-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108958504
N-(4-bromo-2,6-dichlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287359

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (CID 22287259) is N-(4-bromo-2-methylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is Cc1cc(Br)ccc1NC(=O)C(C)(O)C(F)(F)F.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The InChIKey is CUZVTTHASHRQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3NO2/c1-6-5-7(12)3-4-8(6)16-9(17)10(2,18)11(13,14)15/h3-5,18H,1-2H3,(H,16,17).
What are the key properties of N-(4-bromo-2-methylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
N-(4-bromo-2-methylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide has a molecular weight of 326.11 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 22287259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).