N-[4-bromo-3-(trifluoromethyl)phenyl]acetamide

C9H7BrF3NO — CID 697838

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

About N-[4-bromo-3-(trifluoromethyl)phenyl]acetamide

N-[4-bromo-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 697838) has the molecular formula C9H7BrF3NO and a molecular weight of 282.06 g/mol. Its IUPAC name is N-[4-bromo-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-bromo-3-(trifluoromethyl)phenyl]acetamide
PubChem CID697838
Molecular FormulaC9H7BrF3NO
Molecular Weight282.06 g/mol
Exact Mass280.97
IUPAC NameN-[4-bromo-3-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C9H7BrF3NO/c1-5(15)14-6-2-3-8(10)7(4-6)9(11,12)13/h2-4H,1H3,(H,14,15)
InChIKeyAOHSBSXIGFIMNC-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-[4-bromo-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]acetamide (CID 697838) is N-[4-bromo-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[4-bromo-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[4-bromo-3-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-bromo-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is AOHSBSXIGFIMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF3NO/c1-5(15)14-6-2-3-8(10)7(4-6)9(11,12)13/h2-4H,1H3,(H,14,15).
What are the key properties of N-[4-bromo-3-(trifluoromethyl)phenyl]acetamide?
N-[4-bromo-3-(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-[4-bromo-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 697838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).