2-bromo-N-[4-methyl-2-(trifluoromethyl)phenyl]acetamide

C10H9BrF3NO — CID 69070536

IUPAC2-bromo-N-[4-methyl-2-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(NC(=O)CBr)c(C(F)(F)F)c1
InChIInChI=1S/C10H9BrF3NO/c1-6-2-3-8(15-9(16)5-11)7(4-6)10(12,13)14/h2-4H,5H2,1H3,(H,15,16)
InChIKeyOQCORGAUOPXWPW-UHFFFAOYSA-N
MW296.09 g/mol
LogP3.35
Rot. Bonds2

About 2-bromo-N-[4-methyl-2-(trifluoromethyl)phenyl]acetamide

2-bromo-N-[4-methyl-2-(trifluoromethyl)phenyl]acetamide (PubChem CID 69070536) has the molecular formula C10H9BrF3NO and a molecular weight of 296.09 g/mol. Its IUPAC name is 2-bromo-N-[4-methyl-2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[4-methyl-2-(trifluoromethyl)phenyl]acetamide
PubChem CID69070536
Molecular FormulaC10H9BrF3NO
Molecular Weight296.09 g/mol
Exact Mass294.98
IUPAC Name2-bromo-N-[4-methyl-2-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(NC(=O)CBr)c(C(F)(F)F)c1
InChIInChI=1S/C10H9BrF3NO/c1-6-2-3-8(15-9(16)5-11)7(4-6)10(12,13)14/h2-4H,5H2,1H3,(H,15,16)
InChIKeyOQCORGAUOPXWPW-UHFFFAOYSA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.09
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-bromo-N-[4-methyl-2-(trifluoromethyl)phenyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-methyl-2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-bromo-N-[4-methyl-2-(trifluoromethyl)phenyl]acetamide (CID 69070536) is 2-bromo-N-[4-methyl-2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-bromo-N-[4-methyl-2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-bromo-N-[4-methyl-2-(trifluoromethyl)phenyl]acetamide is Cc1ccc(NC(=O)CBr)c(C(F)(F)F)c1.
What is the InChIKey of 2-bromo-N-[4-methyl-2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is OQCORGAUOPXWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3NO/c1-6-2-3-8(15-9(16)5-11)7(4-6)10(12,13)14/h2-4H,5H2,1H3,(H,15,16).
What are the key properties of 2-bromo-N-[4-methyl-2-(trifluoromethyl)phenyl]acetamide?
2-bromo-N-[4-methyl-2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 296.09 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-methyl-2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 69070536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).