N-(5-bromo-4-chloro-2-methylphenyl)-2,2,2-trifluoroacetamide

C9H6BrClF3NO — CID 129147318

IUPACN-(5-bromo-4-chloro-2-methylphenyl)-2,2,2-trifluoroacetamide
SMILESCc1cc(Cl)c(Br)cc1NC(=O)C(F)(F)F
InChIInChI=1S/C9H6BrClF3NO/c1-4-2-6(11)5(10)3-7(4)15-8(16)9(12,13)14/h2-3H,1H3,(H,15,16)
InChIKeyAJQPCNMABQJNPW-UHFFFAOYSA-N
MW316.50 g/mol
LogP3.91
Rot. Bonds1

About N-(5-bromo-4-chloro-2-methylphenyl)-2,2,2-trifluoroacetamide

N-(5-bromo-4-chloro-2-methylphenyl)-2,2,2-trifluoroacetamide (PubChem CID 129147318) has the molecular formula C9H6BrClF3NO and a molecular weight of 316.50 g/mol. Its IUPAC name is N-(5-bromo-4-chloro-2-methylphenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(5-bromo-4-chloro-2-methylphenyl)-2,2,2-trifluoroacetamide
PubChem CID129147318
Molecular FormulaC9H6BrClF3NO
Molecular Weight316.50 g/mol
Exact Mass314.93
IUPAC NameN-(5-bromo-4-chloro-2-methylphenyl)-2,2,2-trifluoroacetamide
SMILESCc1cc(Cl)c(Br)cc1NC(=O)C(F)(F)F
InChIInChI=1S/C9H6BrClF3NO/c1-4-2-6(11)5(10)3-7(4)15-8(16)9(12,13)14/h2-3H,1H3,(H,15,16)
InChIKeyAJQPCNMABQJNPW-UHFFFAOYSA-N
XLogP3.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(5-bromo-4-chloro-2-methylphenyl)-2,2,2-trifluoroacetamide 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-(4,5-dichloro-2-methylphenyl)-2,2,2-trifluoroacetamide
CID 145284883
N-(5-chloro-2-methyl-4-nitrophenyl)-2,2,2-trifluoroacetamide
CID 17334923
N-[4-bromo-2-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide
CID 162421308
5-bromo-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]benzenesulfonyl chloride
CID 82757191
N-(5-bromo-2-methoxy-3,4-dimethylphenyl)-2,2,2-trifluoroacetamide
CID 23258549
N-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroacetamide
CID 103646595
N-(3,5-dibromo-2-fluorophenyl)-2,2,2-trifluoroacetamide
CID 125116732
N-(3,5-dichloro-2-iodophenyl)-2,2,2-trifluoroacetamide
CID 162537552
N-[2,5-dimethyl-4-(2-methylphenoxy)phenyl]-2,2,2-trifluoroacetamide
CID 159422167
N-(4-bromo-5-chloro-2-methylphenyl)piperazine-1-carboxamide
CID 171916677
N-(2-bromo-4-chloro-6-methoxyphenyl)-2,2,2-trifluoroacetamide
CID 166517759
N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2,2-dimethylpropanamide
CID 104723119

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-chloro-2-methylphenyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(5-bromo-4-chloro-2-methylphenyl)-2,2,2-trifluoroacetamide (CID 129147318) is N-(5-bromo-4-chloro-2-methylphenyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(5-bromo-4-chloro-2-methylphenyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(5-bromo-4-chloro-2-methylphenyl)-2,2,2-trifluoroacetamide is Cc1cc(Cl)c(Br)cc1NC(=O)C(F)(F)F.
What is the InChIKey of N-(5-bromo-4-chloro-2-methylphenyl)-2,2,2-trifluoroacetamide?
The InChIKey is AJQPCNMABQJNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClF3NO/c1-4-2-6(11)5(10)3-7(4)15-8(16)9(12,13)14/h2-3H,1H3,(H,15,16).
What are the key properties of N-(5-bromo-4-chloro-2-methylphenyl)-2,2,2-trifluoroacetamide?
N-(5-bromo-4-chloro-2-methylphenyl)-2,2,2-trifluoroacetamide has a molecular weight of 316.50 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-chloro-2-methylphenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 129147318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).