2-(4-bromophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide

C16H13BrF3NO2S — CID 16609515

IUPAC2-(4-bromophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1ccccc1SCC(F)(F)F
InChIInChI=1S/C16H13BrF3NO2S/c17-11-5-7-12(8-6-11)23-9-15(22)21-13-3-1-2-4-14(13)24-10-16(18,19)20/h1-8H,9-10H2,(H,21,22)
InChIKeyFWEDZMNKYQNLQS-UHFFFAOYSA-N
MW420.25 g/mol
LogP5.12
Rot. Bonds6

About 2-(4-bromophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide

2-(4-bromophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide (PubChem CID 16609515) has the molecular formula C16H13BrF3NO2S and a molecular weight of 420.25 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
PubChem CID16609515
Molecular FormulaC16H13BrF3NO2S
Molecular Weight420.25 g/mol
Exact Mass418.98
IUPAC Name2-(4-bromophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1ccccc1SCC(F)(F)F
InChIInChI=1S/C16H13BrF3NO2S/c17-11-5-7-12(8-6-11)23-9-15(22)21-13-3-1-2-4-14(13)24-10-16(18,19)20/h1-8H,9-10H2,(H,21,22)
InChIKeyFWEDZMNKYQNLQS-UHFFFAOYSA-N
XLogP5.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.25
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-fluorophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 55556106
2-(4-bromophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1068388
2-(4-fluorophenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]acetamide
CID 17132200
4-hydroxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pentanamide
CID 79192003
2-(4-bromophenoxy)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 17074248
2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)acetamide
CID 7688925
2-[[2-(4-bromophenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 4942499
3-(ethylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide
CID 62839170
2-(4-bromophenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 2631889
N-(4-bromo-2-iodophenyl)-2-(4-bromophenoxy)acetamide
CID 3967654
N-(5-bromo-2-methylphenyl)-2-phenoxyacetamide
CID 43806384
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide
CID 55901957

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide (CID 16609515) is 2-(4-bromophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide is O=C(COc1ccc(Br)cc1)Nc1ccccc1SCC(F)(F)F.
What is the InChIKey of 2-(4-bromophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide?
The InChIKey is FWEDZMNKYQNLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrF3NO2S/c17-11-5-7-12(8-6-11)23-9-15(22)21-13-3-1-2-4-14(13)24-10-16(18,19)20/h1-8H,9-10H2,(H,21,22).
What are the key properties of 2-(4-bromophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide?
2-(4-bromophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide has a molecular weight of 420.25 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 16609515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).