2-[2-bromo-6-(trifluoromethyl)phenyl]-N-methylacetamide

C10H9BrF3NO — CID 122656472

IUPAC2-[2-bromo-6-(trifluoromethyl)phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1c(Br)cccc1C(F)(F)F
InChIInChI=1S/C10H9BrF3NO/c1-15-9(16)5-6-7(10(12,13)14)3-2-4-8(6)11/h2-4H,5H2,1H3,(H,15,16)
InChIKeyMSUSOQWPYFVJNH-UHFFFAOYSA-N
MW296.09 g/mol
LogP2.76
Rot. Bonds2

About 2-[2-bromo-6-(trifluoromethyl)phenyl]-N-methylacetamide

2-[2-bromo-6-(trifluoromethyl)phenyl]-N-methylacetamide (PubChem CID 122656472) has the molecular formula C10H9BrF3NO and a molecular weight of 296.09 g/mol. Its IUPAC name is 2-[2-bromo-6-(trifluoromethyl)phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-bromo-6-(trifluoromethyl)phenyl]-N-methylacetamide
PubChem CID122656472
Molecular FormulaC10H9BrF3NO
Molecular Weight296.09 g/mol
Exact Mass294.98
IUPAC Name2-[2-bromo-6-(trifluoromethyl)phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1c(Br)cccc1C(F)(F)F
InChIInChI=1S/C10H9BrF3NO/c1-15-9(16)5-6-7(10(12,13)14)3-2-4-8(6)11/h2-4H,5H2,1H3,(H,15,16)
InChIKeyMSUSOQWPYFVJNH-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-6-(trifluoromethyl)phenyl]-N-methylacetamide?
The IUPAC name of 2-[2-bromo-6-(trifluoromethyl)phenyl]-N-methylacetamide (CID 122656472) is 2-[2-bromo-6-(trifluoromethyl)phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[2-bromo-6-(trifluoromethyl)phenyl]-N-methylacetamide?
The canonical SMILES for 2-[2-bromo-6-(trifluoromethyl)phenyl]-N-methylacetamide is CNC(=O)Cc1c(Br)cccc1C(F)(F)F.
What is the InChIKey of 2-[2-bromo-6-(trifluoromethyl)phenyl]-N-methylacetamide?
The InChIKey is MSUSOQWPYFVJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3NO/c1-15-9(16)5-6-7(10(12,13)14)3-2-4-8(6)11/h2-4H,5H2,1H3,(H,15,16).
What are the key properties of 2-[2-bromo-6-(trifluoromethyl)phenyl]-N-methylacetamide?
2-[2-bromo-6-(trifluoromethyl)phenyl]-N-methylacetamide has a molecular weight of 296.09 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-6-(trifluoromethyl)phenyl]-N-methylacetamide is sourced from PubChem (CID 122656472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).