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

C14H13BrFNOS — CID 79036891

IUPAC4-bromo-2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
SMILESCN(CCc1cccs1)C(=O)c1ccc(Br)cc1F
InChIInChI=1S/C14H13BrFNOS/c1-17(7-6-11-3-2-8-19-11)14(18)12-5-4-10(15)9-13(12)16/h2-5,8-9H,6-7H2,1H3
InChIKeyTYTWGNSQCKSTOL-UHFFFAOYSA-N
MW342.23 g/mol
LogP3.96
Rot. Bonds4

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

4-bromo-2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 79036891) has the molecular formula C14H13BrFNOS and a molecular weight of 342.23 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID79036891
Molecular FormulaC14H13BrFNOS
Molecular Weight342.23 g/mol
Exact Mass340.99
IUPAC Name4-bromo-2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
SMILESCN(CCc1cccs1)C(=O)c1ccc(Br)cc1F
InChIInChI=1S/C14H13BrFNOS/c1-17(7-6-11-3-2-8-19-11)14(18)12-5-4-10(15)9-13(12)16/h2-5,8-9H,6-7H2,1H3
InChIKeyTYTWGNSQCKSTOL-UHFFFAOYSA-N
XLogP3.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036874
2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036837
4-bromo-2-fluoro-N-methyl-N-propylbenzamide
CID 43271494
N-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine
CID 79038374
4-bromo-2-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 47435985
2-amino-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79019362
1-(4-bromo-2-fluorophenyl)-2-thiophen-2-ylethanone
CID 61056501
4-bromo-N-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)benzamide
CID 103924500
3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 79036876
4-bromo-N,1-dimethyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide
CID 79036710
4-bromo-N-[(3,4-difluorophenyl)methyl]-2-fluoro-N-methylbenzamide
CID 60728865
N-methyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide
CID 107032184

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 4-bromo-2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide (CID 79036891) is 4-bromo-2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide is CN(CCc1cccs1)C(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is TYTWGNSQCKSTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNOS/c1-17(7-6-11-3-2-8-19-11)14(18)12-5-4-10(15)9-13(12)16/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 4-bromo-2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide?
4-bromo-2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 342.23 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 79036891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).