5-bromo-2-fluoro-N-(thiophen-2-ylmethyl)benzamide

C12H9BrFNOS — CID 31510526

IUPAC5-bromo-2-fluoro-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1cc(Br)ccc1F
InChIInChI=1S/C12H9BrFNOS/c13-8-3-4-11(14)10(6-8)12(16)15-7-9-2-1-5-17-9/h1-6H,7H2,(H,15,16)
InChIKeyCYOJXXLFKGWEBK-UHFFFAOYSA-N
MW314.18 g/mol
LogP3.58
Rot. Bonds3

About 5-bromo-2-fluoro-N-(thiophen-2-ylmethyl)benzamide

5-bromo-2-fluoro-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 31510526) has the molecular formula C12H9BrFNOS and a molecular weight of 314.18 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-(thiophen-2-ylmethyl)benzamide
PubChem CID31510526
Molecular FormulaC12H9BrFNOS
Molecular Weight314.18 g/mol
Exact Mass312.96
IUPAC Name5-bromo-2-fluoro-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1cc(Br)ccc1F
InChIInChI=1S/C12H9BrFNOS/c13-8-3-4-11(14)10(6-8)12(16)15-7-9-2-1-5-17-9/h1-6H,7H2,(H,15,16)
InChIKeyCYOJXXLFKGWEBK-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-(thiophen-2-ylmethyl)benzamide (CID 31510526) is 5-bromo-2-fluoro-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-(thiophen-2-ylmethyl)benzamide is O=C(NCc1cccs1)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is CYOJXXLFKGWEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNOS/c13-8-3-4-11(14)10(6-8)12(16)15-7-9-2-1-5-17-9/h1-6H,7H2,(H,15,16).
What are the key properties of 5-bromo-2-fluoro-N-(thiophen-2-ylmethyl)benzamide?
5-bromo-2-fluoro-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 314.18 g/mol, XLogP of 3.58, 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-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 31510526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).