N-(5-bromo-2-methoxy-3,4-dimethylphenyl)-2,2,2-trifluoroacetamide

C11H11BrF3NO2 — CID 23258549

IUPACN-(5-bromo-2-methoxy-3,4-dimethylphenyl)-2,2,2-trifluoroacetamide
SMILESCOc1c(NC(=O)C(F)(F)F)cc(Br)c(C)c1C
InChIInChI=1S/C11H11BrF3NO2/c1-5-6(2)9(18-3)8(4-7(5)12)16-10(17)11(13,14)15/h4H,1-3H3,(H,16,17)
InChIKeyZRTJFDSTKKGTBR-UHFFFAOYSA-N
MW326.11 g/mol
LogP3.58
Rot. Bonds2

About N-(5-bromo-2-methoxy-3,4-dimethylphenyl)-2,2,2-trifluoroacetamide

N-(5-bromo-2-methoxy-3,4-dimethylphenyl)-2,2,2-trifluoroacetamide (PubChem CID 23258549) has the molecular formula C11H11BrF3NO2 and a molecular weight of 326.11 g/mol. Its IUPAC name is N-(5-bromo-2-methoxy-3,4-dimethylphenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxy-3,4-dimethylphenyl)-2,2,2-trifluoroacetamide
PubChem CID23258549
Molecular FormulaC11H11BrF3NO2
Molecular Weight326.11 g/mol
Exact Mass324.99
IUPAC NameN-(5-bromo-2-methoxy-3,4-dimethylphenyl)-2,2,2-trifluoroacetamide
SMILESCOc1c(NC(=O)C(F)(F)F)cc(Br)c(C)c1C
InChIInChI=1S/C11H11BrF3NO2/c1-5-6(2)9(18-3)8(4-7(5)12)16-10(17)11(13,14)15/h4H,1-3H3,(H,16,17)
InChIKeyZRTJFDSTKKGTBR-UHFFFAOYSA-N
XLogP3.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.11
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-(3-methoxy-2,4-dimethylphenyl)acetamide
CID 62726523
N-(5-bromo-4-chloro-2-methylphenyl)-2,2,2-trifluoroacetamide
CID 129147318
5-bromo-2-methoxy-3,4-dimethylbenzoyl chloride
CID 50883137
N-(2-bromo-4-chloro-6-methoxyphenyl)-2,2,2-trifluoroacetamide
CID 166517759
N-(3,5-dibromo-2-fluorophenyl)-2,2,2-trifluoroacetamide
CID 125116732
N-(2-bromo-6-methoxyphenyl)-2,2,2-trifluoroacetamide
CID 156877036
2,2,2-trifluoro-N-(4-fluoro-2-methoxyphenyl)acetamide
CID 62492319
N-[3-bromo-2-(methoxymethyl)phenyl]-2,2,2-trifluoroacetamide
CID 63374766
5-bromo-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]benzenesulfonyl chloride
CID 82757191
N-(3,5-dimethoxyphenyl)-2,2,2-trifluoroacetamide
CID 885871
N-(2,5-dimethoxy-3,4-dimethylphenyl)-2-oxopropanamide
CID 115175414
N-(2-bromo-5-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide
CID 113250998

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxy-3,4-dimethylphenyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(5-bromo-2-methoxy-3,4-dimethylphenyl)-2,2,2-trifluoroacetamide (CID 23258549) is N-(5-bromo-2-methoxy-3,4-dimethylphenyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(5-bromo-2-methoxy-3,4-dimethylphenyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(5-bromo-2-methoxy-3,4-dimethylphenyl)-2,2,2-trifluoroacetamide is COc1c(NC(=O)C(F)(F)F)cc(Br)c(C)c1C.
What is the InChIKey of N-(5-bromo-2-methoxy-3,4-dimethylphenyl)-2,2,2-trifluoroacetamide?
The InChIKey is ZRTJFDSTKKGTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3NO2/c1-5-6(2)9(18-3)8(4-7(5)12)16-10(17)11(13,14)15/h4H,1-3H3,(H,16,17).
What are the key properties of N-(5-bromo-2-methoxy-3,4-dimethylphenyl)-2,2,2-trifluoroacetamide?
N-(5-bromo-2-methoxy-3,4-dimethylphenyl)-2,2,2-trifluoroacetamide has a molecular weight of 326.11 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxy-3,4-dimethylphenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 23258549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).