N-(4-bromo-2,6-dimethylphenyl)-2,2,2-trichloroacetamide

C10H9BrCl3NO — CID 880666

IUPACN-(4-bromo-2,6-dimethylphenyl)-2,2,2-trichloroacetamide
SMILESCc1cc(Br)cc(C)c1NC(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C10H9BrCl3NO/c1-5-3-7(11)4-6(2)8(5)15-9(16)10(12,13)14/h3-4H,1-2H3,(H,15,16)
InChIKeyCUIWAPYVBVOVGQ-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.37
Rot. Bonds1

About N-(4-bromo-2,6-dimethylphenyl)-2,2,2-trichloroacetamide

N-(4-bromo-2,6-dimethylphenyl)-2,2,2-trichloroacetamide (PubChem CID 880666) has the molecular formula C10H9BrCl3NO and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-2,2,2-trichloroacetamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-2,2,2-trichloroacetamide
PubChem CID880666
Molecular FormulaC10H9BrCl3NO
Molecular Weight345.45 g/mol
Exact Mass342.89
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-2,2,2-trichloroacetamide
SMILESCc1cc(Br)cc(C)c1NC(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C10H9BrCl3NO/c1-5-3-7(11)4-6(2)8(5)15-9(16)10(12,13)14/h3-4H,1-2H3,(H,15,16)
InChIKeyCUIWAPYVBVOVGQ-UHFFFAOYSA-N
XLogP4.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-2,6-dimethylphenyl)-3-chloro-2,2-dimethylpropanamide
CID 63681085
N-(4-bromo-2,6-dimethylphenyl)-2-methoxy-2-methylpropanamide
CID 103020703
N-(4-bromo-2,6-dimethylphenyl)-2-cyano-2-methylbutanamide
CID 113270169
N-(4-bromo-2,6-dimethylphenyl)-2-methoxyacetamide
CID 60794685
1-(4-bromo-2,6-dimethylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 110894509
N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-2-oxoacetamide
CID 43163865
N-(4-bromo-2,6-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 100801901
5-(4-bromo-2,6-dimethylanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 47303447
1-(4-bromo-2,6-dimethylphenyl)-3-(2-hydroxyethyl)urea
CID 47237413
1-(4-bromo-2,6-dimethylphenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111754639
(3S)-N-(4-bromo-2,6-dimethylphenyl)piperidine-3-carboxamide
CID 28562759
3-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-chlorobenzamide
CID 107999136

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2,2,2-trichloroacetamide?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2,2,2-trichloroacetamide (CID 880666) is N-(4-bromo-2,6-dimethylphenyl)-2,2,2-trichloroacetamide.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-2,2,2-trichloroacetamide?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-2,2,2-trichloroacetamide is Cc1cc(Br)cc(C)c1NC(=O)C(Cl)(Cl)Cl.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-2,2,2-trichloroacetamide?
The InChIKey is CUIWAPYVBVOVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrCl3NO/c1-5-3-7(11)4-6(2)8(5)15-9(16)10(12,13)14/h3-4H,1-2H3,(H,15,16).
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-2,2,2-trichloroacetamide?
N-(4-bromo-2,6-dimethylphenyl)-2,2,2-trichloroacetamide has a molecular weight of 345.45 g/mol, XLogP of 4.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)-2,2,2-trichloroacetamide is sourced from PubChem (CID 880666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).