3-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide

C13H9BrF3NOS — CID 60778137

IUPAC3-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)c1sccc1Br
InChIInChI=1S/C13H9BrF3NOS/c14-10-5-6-20-11(10)12(19)18-7-8-3-1-2-4-9(8)13(15,16)17/h1-6H,7H2,(H,18,19)
InChIKeyIMBOKHGULCLWFZ-UHFFFAOYSA-N
MW364.19 g/mol
LogP4.46
Rot. Bonds3

About 3-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide

3-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 60778137) has the molecular formula C13H9BrF3NOS and a molecular weight of 364.19 g/mol. Its IUPAC name is 3-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
PubChem CID60778137
Molecular FormulaC13H9BrF3NOS
Molecular Weight364.19 g/mol
Exact Mass362.95
IUPAC Name3-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)c1sccc1Br
InChIInChI=1S/C13H9BrF3NOS/c14-10-5-6-20-11(10)12(19)18-7-8-3-1-2-4-9(8)13(15,16)17/h1-6H,7H2,(H,18,19)
InChIKeyIMBOKHGULCLWFZ-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.19
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

3-bromo-N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide
CID 115598761
3-bromo-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide
CID 63801472
3-bromo-N-[[2-(3-methylbutoxy)phenyl]methyl]thiophene-2-carboxamide
CID 60618416
2-iodo-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 60738967
3-bromo-N-(4,4,4-trifluorobutyl)thiophene-2-carboxamide
CID 79039212
4-bromo-1-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 39854418
2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 57455734
3-hydroxy-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 62879274
3-bromo-N-(pyridazin-3-ylmethyl)thiophene-2-carboxamide
CID 106832316
3-bromo-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide
CID 47220417
3-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 112669931
3-bromo-N-propylthiophene-2-carboxamide
CID 58831720

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide (CID 60778137) is 3-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide is O=C(NCc1ccccc1C(F)(F)F)c1sccc1Br.
What is the InChIKey of 3-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is IMBOKHGULCLWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF3NOS/c14-10-5-6-20-11(10)12(19)18-7-8-3-1-2-4-9(8)13(15,16)17/h1-6H,7H2,(H,18,19).
What are the key properties of 3-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
3-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 364.19 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 60778137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).