3-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzamide

C14H13BrFNOS — CID 106544261

IUPAC3-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzamide
SMILESCCc1ccc(CNC(=O)c2cccc(Br)c2F)s1
InChIInChI=1S/C14H13BrFNOS/c1-2-9-6-7-10(19-9)8-17-14(18)11-4-3-5-12(15)13(11)16/h3-7H,2,8H2,1H3,(H,17,18)
InChIKeyVAJHYWYIRYWRHC-UHFFFAOYSA-N
MW342.23 g/mol
LogP4.14
Rot. Bonds4

About 3-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzamide

3-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzamide (PubChem CID 106544261) has the molecular formula C14H13BrFNOS and a molecular weight of 342.23 g/mol. Its IUPAC name is 3-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzamide
PubChem CID106544261
Molecular FormulaC14H13BrFNOS
Molecular Weight342.23 g/mol
Exact Mass340.99
IUPAC Name3-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzamide
SMILESCCc1ccc(CNC(=O)c2cccc(Br)c2F)s1
InChIInChI=1S/C14H13BrFNOS/c1-2-9-6-7-10(19-9)8-17-14(18)11-4-3-5-12(15)13(11)16/h3-7H,2,8H2,1H3,(H,17,18)
InChIKeyVAJHYWYIRYWRHC-UHFFFAOYSA-N
XLogP4.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(5-ethylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 113255164
3-bromo-N-butyl-2-fluorobenzamide
CID 106544046
3-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzamide
CID 106006505
N-[(5-ethylthiophen-2-yl)methyl]-2,6-dihydroxybenzamide
CID 103749033
3-bromo-2-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 106544257
N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-4-methylbenzamide
CID 103731815
2-(2-aminoethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzamide
CID 106011853
N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-nitrobenzamide
CID 46466364
3-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 106548063
3-bromo-N-(2-chlorobutyl)-2-fluorobenzamide
CID 107956821
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-2-fluorobenzamide
CID 107956077
2,3-difluoro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 62662253

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzamide?
The IUPAC name of 3-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzamide (CID 106544261) is 3-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzamide?
The canonical SMILES for 3-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzamide is CCc1ccc(CNC(=O)c2cccc(Br)c2F)s1.
What is the InChIKey of 3-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzamide?
The InChIKey is VAJHYWYIRYWRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNOS/c1-2-9-6-7-10(19-9)8-17-14(18)11-4-3-5-12(15)13(11)16/h3-7H,2,8H2,1H3,(H,17,18).
What are the key properties of 3-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzamide?
3-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzamide has a molecular weight of 342.23 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzamide is sourced from PubChem (CID 106544261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).