2-(2,5-dibromothiophen-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

C13H8Br2F3NOS — CID 2744056

IUPAC2-(2,5-dibromothiophen-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cc(Br)sc1Br)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H8Br2F3NOS/c14-10-4-7(12(15)21-10)5-11(20)19-9-3-1-2-8(6-9)13(16,17)18/h1-4,6H,5H2,(H,19,20)
InChIKeyOYMIBNFJGDBLQB-UHFFFAOYSA-N
MW443.08 g/mol
LogP5.47
Rot. Bonds3

About 2-(2,5-dibromothiophen-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(2,5-dibromothiophen-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 2744056) has the molecular formula C13H8Br2F3NOS and a molecular weight of 443.08 g/mol. Its IUPAC name is 2-(2,5-dibromothiophen-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dibromothiophen-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID2744056
Molecular FormulaC13H8Br2F3NOS
Molecular Weight443.08 g/mol
Exact Mass440.86
IUPAC Name2-(2,5-dibromothiophen-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cc(Br)sc1Br)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H8Br2F3NOS/c14-10-4-7(12(15)21-10)5-11(20)19-9-3-1-2-8(6-9)13(16,17)18/h1-4,6H,5H2,(H,19,20)
InChIKeyOYMIBNFJGDBLQB-UHFFFAOYSA-N
XLogP5.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.08
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,5-dibromothiophen-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dibromothiophen-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2,5-dibromothiophen-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 2744056) is 2-(2,5-dibromothiophen-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2,5-dibromothiophen-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2,5-dibromothiophen-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cc1cc(Br)sc1Br)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(2,5-dibromothiophen-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is OYMIBNFJGDBLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2F3NOS/c14-10-4-7(12(15)21-10)5-11(20)19-9-3-1-2-8(6-9)13(16,17)18/h1-4,6H,5H2,(H,19,20).
What are the key properties of 2-(2,5-dibromothiophen-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(2,5-dibromothiophen-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 443.08 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dibromothiophen-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2744056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).