N-[5-bromo-2-(trifluoromethoxy)phenyl]acetamide

C9H7BrF3NO2 — CID 3603102

IUPACN-[5-bromo-2-(trifluoromethoxy)phenyl]acetamide
SMILESCC(=O)Nc1cc(Br)ccc1OC(F)(F)F
InChIInChI=1S/C9H7BrF3NO2/c1-5(15)14-7-4-6(10)2-3-8(7)16-9(11,12)13/h2-4H,1H3,(H,14,15)
InChIKeyLKKZGGNYYLEERH-UHFFFAOYSA-N
MW298.06 g/mol
LogP3.31
Rot. Bonds2

About N-[5-bromo-2-(trifluoromethoxy)phenyl]acetamide

N-[5-bromo-2-(trifluoromethoxy)phenyl]acetamide (PubChem CID 3603102) has the molecular formula C9H7BrF3NO2 and a molecular weight of 298.06 g/mol. Its IUPAC name is N-[5-bromo-2-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[5-bromo-2-(trifluoromethoxy)phenyl]acetamide
PubChem CID3603102
Molecular FormulaC9H7BrF3NO2
Molecular Weight298.06 g/mol
Exact Mass296.96
IUPAC NameN-[5-bromo-2-(trifluoromethoxy)phenyl]acetamide
SMILESCC(=O)Nc1cc(Br)ccc1OC(F)(F)F
InChIInChI=1S/C9H7BrF3NO2/c1-5(15)14-7-4-6(10)2-3-8(7)16-9(11,12)13/h2-4H,1H3,(H,14,15)
InChIKeyLKKZGGNYYLEERH-UHFFFAOYSA-N
XLogP3.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.06
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-[5-bromo-2-(trifluoromethoxy)phenyl]acetamide (CID 3603102) is N-[5-bromo-2-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-[5-bromo-2-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-[5-bromo-2-(trifluoromethoxy)phenyl]acetamide is CC(=O)Nc1cc(Br)ccc1OC(F)(F)F.
What is the InChIKey of N-[5-bromo-2-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is LKKZGGNYYLEERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF3NO2/c1-5(15)14-7-4-6(10)2-3-8(7)16-9(11,12)13/h2-4H,1H3,(H,14,15).
What are the key properties of N-[5-bromo-2-(trifluoromethoxy)phenyl]acetamide?
N-[5-bromo-2-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 298.06 g/mol, XLogP of 3.31, 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-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 3603102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).