2-bromo-5-fluoro-N-(1-thiophen-2-ylbutyl)benzamide

C15H15BrFNOS — CID 61381188

IUPAC2-bromo-5-fluoro-N-(1-thiophen-2-ylbutyl)benzamide
SMILESCCCC(NC(=O)c1cc(F)ccc1Br)c1cccs1
InChIInChI=1S/C15H15BrFNOS/c1-2-4-13(14-5-3-8-20-14)18-15(19)11-9-10(17)6-7-12(11)16/h3,5-9,13H,2,4H2,1H3,(H,18,19)
InChIKeyQIBOTNLINJCADV-UHFFFAOYSA-N
MW356.26 g/mol
LogP4.92
Rot. Bonds5

About 2-bromo-5-fluoro-N-(1-thiophen-2-ylbutyl)benzamide

2-bromo-5-fluoro-N-(1-thiophen-2-ylbutyl)benzamide (PubChem CID 61381188) has the molecular formula C15H15BrFNOS and a molecular weight of 356.26 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-(1-thiophen-2-ylbutyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-(1-thiophen-2-ylbutyl)benzamide
PubChem CID61381188
Molecular FormulaC15H15BrFNOS
Molecular Weight356.26 g/mol
Exact Mass355.00
IUPAC Name2-bromo-5-fluoro-N-(1-thiophen-2-ylbutyl)benzamide
SMILESCCCC(NC(=O)c1cc(F)ccc1Br)c1cccs1
InChIInChI=1S/C15H15BrFNOS/c1-2-4-13(14-5-3-8-20-14)18-15(19)11-9-10(17)6-7-12(11)16/h3,5-9,13H,2,4H2,1H3,(H,18,19)
InChIKeyQIBOTNLINJCADV-UHFFFAOYSA-N
XLogP4.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-5-fluoro-N-(1-thiophen-2-ylbutyl)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-fluoro-N-(1-phenylbutyl)benzamide
CID 60667425
2-fluoro-5-methyl-N-(1-thiophen-2-ylbutyl)benzamide
CID 62513846
2,2-difluoro-N-(1-thiophen-2-ylbutyl)acetamide
CID 103515707
6-bromo-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide
CID 66464915
2-bromo-5-fluoro-N-[3-[(2-methyl-1-thiophen-2-ylpropyl)amino]-3-oxopropyl]benzamide
CID 55792738
5-bromo-N-(1-thiophen-2-ylbutyl)furan-2-carboxamide
CID 61380869
2-fluoro-6-hydroxy-N-(1-thiophen-2-ylbutyl)benzamide
CID 104917044
4-bromo-2-fluoro-N-(1-thiophen-2-ylpropyl)benzamide
CID 61072638
2-bromo-N-(1-thiophen-2-ylbutyl)propanamide
CID 107904985
2-amino-5-fluoro-N-(1-phenylbutyl)benzamide
CID 43708581
3-amino-2,6-difluoro-N-(1-thiophen-2-ylbutyl)benzamide
CID 79758784
2-[2-[[(1R)-1-thiophen-2-ylbutyl]carbamoyl]anilino]acetic acid
CID 95143397

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-(1-thiophen-2-ylbutyl)benzamide?
The IUPAC name of 2-bromo-5-fluoro-N-(1-thiophen-2-ylbutyl)benzamide (CID 61381188) is 2-bromo-5-fluoro-N-(1-thiophen-2-ylbutyl)benzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-(1-thiophen-2-ylbutyl)benzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-(1-thiophen-2-ylbutyl)benzamide is CCCC(NC(=O)c1cc(F)ccc1Br)c1cccs1.
What is the InChIKey of 2-bromo-5-fluoro-N-(1-thiophen-2-ylbutyl)benzamide?
The InChIKey is QIBOTNLINJCADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNOS/c1-2-4-13(14-5-3-8-20-14)18-15(19)11-9-10(17)6-7-12(11)16/h3,5-9,13H,2,4H2,1H3,(H,18,19).
What are the key properties of 2-bromo-5-fluoro-N-(1-thiophen-2-ylbutyl)benzamide?
2-bromo-5-fluoro-N-(1-thiophen-2-ylbutyl)benzamide has a molecular weight of 356.26 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-(1-thiophen-2-ylbutyl)benzamide is sourced from PubChem (CID 61381188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).