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

C13H11BrFNOS — CID 43397649

IUPAC5-bromo-2-fluoro-N-(1-thiophen-2-ylethyl)benzamide
SMILESCC(NC(=O)c1cc(Br)ccc1F)c1cccs1
InChIInChI=1S/C13H11BrFNOS/c1-8(12-3-2-6-18-12)16-13(17)10-7-9(14)4-5-11(10)15/h2-8H,1H3,(H,16,17)
InChIKeySPGSWTMUVFTPRX-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.14
Rot. Bonds3

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

5-bromo-2-fluoro-N-(1-thiophen-2-ylethyl)benzamide (PubChem CID 43397649) has the molecular formula C13H11BrFNOS and a molecular weight of 328.21 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-(1-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-(1-thiophen-2-ylethyl)benzamide
PubChem CID43397649
Molecular FormulaC13H11BrFNOS
Molecular Weight328.21 g/mol
Exact Mass326.97
IUPAC Name5-bromo-2-fluoro-N-(1-thiophen-2-ylethyl)benzamide
SMILESCC(NC(=O)c1cc(Br)ccc1F)c1cccs1
InChIInChI=1S/C13H11BrFNOS/c1-8(12-3-2-6-18-12)16-13(17)10-7-9(14)4-5-11(10)15/h2-8H,1H3,(H,16,17)
InChIKeySPGSWTMUVFTPRX-UHFFFAOYSA-N
XLogP4.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-hydroxy-N-(1-thiophen-2-ylethyl)benzamide
CID 47436073
5-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 46582103
2,5-difluoro-4-nitro-N-(1-thiophen-2-ylethyl)benzamide
CID 104699258
5-bromo-2-fluoro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 60698580
2-bromo-5-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 80958201
4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7742310
2-fluoro-4-methoxy-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 27754688
N-[1-(3-aminophenyl)ethyl]-5-bromo-2-fluorobenzamide
CID 43297640
2-amino-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 81407916
N-[1-(3-acetamidophenyl)ethyl]-5-bromo-2-fluorobenzamide
CID 46598763
4-bromo-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-fluorobenzamide
CID 55661710
4-bromo-2-fluoro-N-(1-thiophen-2-ylpropyl)benzamide
CID 61072638

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-(1-thiophen-2-ylethyl)benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-(1-thiophen-2-ylethyl)benzamide (CID 43397649) is 5-bromo-2-fluoro-N-(1-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-(1-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-(1-thiophen-2-ylethyl)benzamide is CC(NC(=O)c1cc(Br)ccc1F)c1cccs1.
What is the InChIKey of 5-bromo-2-fluoro-N-(1-thiophen-2-ylethyl)benzamide?
The InChIKey is SPGSWTMUVFTPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNOS/c1-8(12-3-2-6-18-12)16-13(17)10-7-9(14)4-5-11(10)15/h2-8H,1H3,(H,16,17).
What are the key properties of 5-bromo-2-fluoro-N-(1-thiophen-2-ylethyl)benzamide?
5-bromo-2-fluoro-N-(1-thiophen-2-ylethyl)benzamide has a molecular weight of 328.21 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-(1-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 43397649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).