N-[2-bromo-4-(trifluoromethyl)phenyl]acetamide

C9H7BrF3NO — CID 706569

IUPACN-[2-bromo-4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(F)(F)F)cc1Br
InChIInChI=1S/C9H7BrF3NO/c1-5(15)14-8-3-2-6(4-7(8)10)9(11,12)13/h2-4H,1H3,(H,14,15)
InChIKeySSPBNPXYQLCJTA-UHFFFAOYSA-N
MW282.06 g/mol
LogP3.43
Rot. Bonds1

About N-[2-bromo-4-(trifluoromethyl)phenyl]acetamide

N-[2-bromo-4-(trifluoromethyl)phenyl]acetamide (PubChem CID 706569) has the molecular formula C9H7BrF3NO and a molecular weight of 282.06 g/mol. Its IUPAC name is N-[2-bromo-4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-bromo-4-(trifluoromethyl)phenyl]acetamide
PubChem CID706569
Molecular FormulaC9H7BrF3NO
Molecular Weight282.06 g/mol
Exact Mass280.97
IUPAC NameN-[2-bromo-4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(F)(F)F)cc1Br
InChIInChI=1S/C9H7BrF3NO/c1-5(15)14-8-3-2-6(4-7(8)10)9(11,12)13/h2-4H,1H3,(H,14,15)
InChIKeySSPBNPXYQLCJTA-UHFFFAOYSA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.06
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2-bromo-4-(trifluoromethyl)phenyl]acetamide (CID 706569) is N-[2-bromo-4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-bromo-4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2-bromo-4-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1ccc(C(F)(F)F)cc1Br.
What is the InChIKey of N-[2-bromo-4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is SSPBNPXYQLCJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF3NO/c1-5(15)14-8-3-2-6(4-7(8)10)9(11,12)13/h2-4H,1H3,(H,14,15).
What are the key properties of N-[2-bromo-4-(trifluoromethyl)phenyl]acetamide?
N-[2-bromo-4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 282.06 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 706569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).