N-[3-bromo-2-chloro-6-(trifluoromethoxy)phenyl]acetamide

C9H6BrClF3NO2 — CID 166071388

IUPACN-[3-bromo-2-chloro-6-(trifluoromethoxy)phenyl]acetamide
SMILESCC(=O)Nc1c(OC(F)(F)F)ccc(Br)c1Cl
InChIInChI=1S/C9H6BrClF3NO2/c1-4(16)15-8-6(17-9(12,13)14)3-2-5(10)7(8)11/h2-3H,1H3,(H,15,16)
InChIKeyCASUOGFKAGYPEG-UHFFFAOYSA-N
MW332.50 g/mol
LogP3.96
Rot. Bonds2

About N-[3-bromo-2-chloro-6-(trifluoromethoxy)phenyl]acetamide

N-[3-bromo-2-chloro-6-(trifluoromethoxy)phenyl]acetamide (PubChem CID 166071388) has the molecular formula C9H6BrClF3NO2 and a molecular weight of 332.50 g/mol. Its IUPAC name is N-[3-bromo-2-chloro-6-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-bromo-2-chloro-6-(trifluoromethoxy)phenyl]acetamide
PubChem CID166071388
Molecular FormulaC9H6BrClF3NO2
Molecular Weight332.50 g/mol
Exact Mass330.92
IUPAC NameN-[3-bromo-2-chloro-6-(trifluoromethoxy)phenyl]acetamide
SMILESCC(=O)Nc1c(OC(F)(F)F)ccc(Br)c1Cl
InChIInChI=1S/C9H6BrClF3NO2/c1-4(16)15-8-6(17-9(12,13)14)3-2-5(10)7(8)11/h2-3H,1H3,(H,15,16)
InChIKeyCASUOGFKAGYPEG-UHFFFAOYSA-N
XLogP3.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.50
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[3-bromo-2-chloro-6-(trifluoromethoxy)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

Related Compounds

3-acetamido-2-chloro-N-(1-propyl-2,3-dihydrotetrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 168840965
N-[3-bromo-4-(trifluoromethoxy)phenyl]-2-methylprop-2-enamide
CID 175097026
N-(4-bromo-2,3-dichlorophenyl)acetamide
CID 22462548
N-[3-bromo-4-(trifluoromethoxy)phenyl]-5-chlorofuran-2-carboxamide
CID 107336561
1-[2-chloro-3-methyl-4-(trifluoromethoxy)phenyl]ethanone
CID 171001667
1-[2-bromo-4-chloro-5-(trifluoromethoxy)phenyl]ethanone
CID 171032832
[3-bromo-4-(trifluoromethoxy)phenyl]carbamic acid
CID 23139549
1-[2-chloro-6-iodo-3-(trifluoromethoxy)phenyl]ethanone
CID 171006044
1-bromo-2-chloro-3-prop-2-enyl-4-(trifluoromethoxy)benzene
CID 174173769
methyl 2-[3-bromo-4-(trifluoromethoxy)phenyl]-2,2-difluoroacetate
CID 75488066
methyl 3-amino-2-chloro-4-(trifluoromethoxy)benzoate
CID 134645548
1-bromo-2-chloro-3-methylsulfanyl-4-(1,1,2,2-tetrafluoroethoxy)benzene
CID 164578579

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-2-chloro-6-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-[3-bromo-2-chloro-6-(trifluoromethoxy)phenyl]acetamide (CID 166071388) is N-[3-bromo-2-chloro-6-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-[3-bromo-2-chloro-6-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-[3-bromo-2-chloro-6-(trifluoromethoxy)phenyl]acetamide is CC(=O)Nc1c(OC(F)(F)F)ccc(Br)c1Cl.
What is the InChIKey of N-[3-bromo-2-chloro-6-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is CASUOGFKAGYPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClF3NO2/c1-4(16)15-8-6(17-9(12,13)14)3-2-5(10)7(8)11/h2-3H,1H3,(H,15,16).
What are the key properties of N-[3-bromo-2-chloro-6-(trifluoromethoxy)phenyl]acetamide?
N-[3-bromo-2-chloro-6-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 332.50 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-2-chloro-6-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 166071388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).