2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide

C13H12FNOS — CID 53016428

IUPAC2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide
SMILESCN(Cc1ccsc1)C(=O)c1ccccc1F
InChIInChI=1S/C13H12FNOS/c1-15(8-10-6-7-17-9-10)13(16)11-4-2-3-5-12(11)14/h2-7,9H,8H2,1H3
InChIKeyCIRUEOZGJUBTFL-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.16
Rot. Bonds3

About 2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide

2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide (PubChem CID 53016428) has the molecular formula C13H12FNOS and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide
PubChem CID53016428
Molecular FormulaC13H12FNOS
Molecular Weight249.31 g/mol
Exact Mass249.06
IUPAC Name2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide
SMILESCN(Cc1ccsc1)C(=O)c1ccccc1F
InChIInChI=1S/C13H12FNOS/c1-15(8-10-6-7-17-9-10)13(16)11-4-2-3-5-12(11)14/h2-7,9H,8H2,1H3
InChIKeyCIRUEOZGJUBTFL-UHFFFAOYSA-N
XLogP3.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide?
The IUPAC name of 2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide (CID 53016428) is 2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide?
The canonical SMILES for 2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide is CN(Cc1ccsc1)C(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide?
The InChIKey is CIRUEOZGJUBTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNOS/c1-15(8-10-6-7-17-9-10)13(16)11-4-2-3-5-12(11)14/h2-7,9H,8H2,1H3.
What are the key properties of 2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide?
2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide has a molecular weight of 249.31 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide is sourced from PubChem (CID 53016428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).