4-bromo-3-fluoro-N-(2-thiophen-2-ylethyl)benzamide

C13H11BrFNOS — CID 47421945

IUPAC4-bromo-3-fluoro-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCCc1cccs1)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H11BrFNOS/c14-11-4-3-9(8-12(11)15)13(17)16-6-5-10-2-1-7-18-10/h1-4,7-8H,5-6H2,(H,16,17)
InChIKeyWEMBGWQJUGUIQV-UHFFFAOYSA-N
MW328.21 g/mol
LogP3.62
Rot. Bonds4

About 4-bromo-3-fluoro-N-(2-thiophen-2-ylethyl)benzamide

4-bromo-3-fluoro-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 47421945) has the molecular formula C13H11BrFNOS and a molecular weight of 328.21 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID47421945
Molecular FormulaC13H11BrFNOS
Molecular Weight328.21 g/mol
Exact Mass326.97
IUPAC Name4-bromo-3-fluoro-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCCc1cccs1)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H11BrFNOS/c14-11-4-3-9(8-12(11)15)13(17)16-6-5-10-2-1-7-18-10/h1-4,7-8H,5-6H2,(H,16,17)
InChIKeyWEMBGWQJUGUIQV-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-3-fluoro-N-(2-thiophen-2-ylethyl)benzamide 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

2-bromo-5-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 113221452
4-bromo-3-fluoro-N-(2-fluoroethyl)benzamide
CID 130478173
4-bromo-3-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 47421922
4-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide
CID 107021162
3-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 18111212
2-bromo-5-iodo-N-(2-thiophen-2-ylethyl)benzamide
CID 113362373
2,3-difluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 62649314
4-bromo-3-fluoro-N-[2-(3-methylphenyl)ethyl]benzamide
CID 60611411
9-oxo-N-(2-thiophen-2-ylethyl)fluorene-2-carboxamide
CID 16612942
4-(propylamino)-N-(2-thiophen-2-ylethyl)benzamide
CID 62165167
4-bromo-3-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 113430397
4-bromo-3-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64531614

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 4-bromo-3-fluoro-N-(2-thiophen-2-ylethyl)benzamide (CID 47421945) is 4-bromo-3-fluoro-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 4-bromo-3-fluoro-N-(2-thiophen-2-ylethyl)benzamide is O=C(NCCc1cccs1)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is WEMBGWQJUGUIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNOS/c14-11-4-3-9(8-12(11)15)13(17)16-6-5-10-2-1-7-18-10/h1-4,7-8H,5-6H2,(H,16,17).
What are the key properties of 4-bromo-3-fluoro-N-(2-thiophen-2-ylethyl)benzamide?
4-bromo-3-fluoro-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 328.21 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 47421945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).