2-(2,4-dibromophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide

C16H12Br2F3NO2 — CID 55418069

IUPAC2-(2,4-dibromophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(Oc1ccc(Br)cc1Br)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H12Br2F3NO2/c1-9(24-14-7-6-10(17)8-12(14)18)15(23)22-13-5-3-2-4-11(13)16(19,20)21/h2-9H,1H3,(H,22,23)
InChIKeyXDXFHZOZSOQUTN-UHFFFAOYSA-N
MW467.08 g/mol
LogP5.64
Rot. Bonds4

About 2-(2,4-dibromophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide

2-(2,4-dibromophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 55418069) has the molecular formula C16H12Br2F3NO2 and a molecular weight of 467.08 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID55418069
Molecular FormulaC16H12Br2F3NO2
Molecular Weight467.08 g/mol
Exact Mass464.92
IUPAC Name2-(2,4-dibromophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(Oc1ccc(Br)cc1Br)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H12Br2F3NO2/c1-9(24-14-7-6-10(17)8-12(14)18)15(23)22-13-5-3-2-4-11(13)16(19,20)21/h2-9H,1H3,(H,22,23)
InChIKeyXDXFHZOZSOQUTN-UHFFFAOYSA-N
XLogP5.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.08
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-methylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46633931
(2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(2,4-dibromophenoxy)propanamide
CID 40736855
(2S)-2-(2,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 7720105
2-methoxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113225450
2-(2,3-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46633814
[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 3-bromobenzoate
CID 4078033
5-chloro-2-[(2S)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]oxybenzamide
CID 38262201
(2S)-2-(2,4-dibromophenoxy)-N-naphthalen-2-ylpropanamide
CID 40736848
(2R)-2-(2,4-dibromophenoxy)-N-(3,5-dimethylphenyl)propanamide
CID 1019999
(2R)-2-(2-bromo-4-fluorophenoxy)-N-(2-chlorophenyl)propanamide
CID 8728698
2-(2-bromo-4-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 46633932
2-(3,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 13052546

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(2,4-dibromophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide (CID 55418069) is 2-(2,4-dibromophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(2,4-dibromophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide is CC(Oc1ccc(Br)cc1Br)C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(2,4-dibromophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is XDXFHZOZSOQUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2F3NO2/c1-9(24-14-7-6-10(17)8-12(14)18)15(23)22-13-5-3-2-4-11(13)16(19,20)21/h2-9H,1H3,(H,22,23).
What are the key properties of 2-(2,4-dibromophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide?
2-(2,4-dibromophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 467.08 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 55418069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).