2,5-difluoro-N-(thiophen-2-ylmethyl)benzamide

C12H9F2NOS — CID 71822121

IUPAC2,5-difluoro-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1cc(F)ccc1F
InChIInChI=1S/C12H9F2NOS/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)
InChIKeyIVLGZCDVDPXRAK-UHFFFAOYSA-N
MW253.27 g/mol
LogP2.96
Rot. Bonds3

About 2,5-difluoro-N-(thiophen-2-ylmethyl)benzamide

2,5-difluoro-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 71822121) has the molecular formula C12H9F2NOS and a molecular weight of 253.27 g/mol. Its IUPAC name is 2,5-difluoro-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-(thiophen-2-ylmethyl)benzamide
PubChem CID71822121
Molecular FormulaC12H9F2NOS
Molecular Weight253.27 g/mol
Exact Mass253.04
IUPAC Name2,5-difluoro-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1cc(F)ccc1F
InChIInChI=1S/C12H9F2NOS/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)
InChIKeyIVLGZCDVDPXRAK-UHFFFAOYSA-N
XLogP2.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 62075015
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide
CID 60821335
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide
CID 60821336
3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 115645421
2-fluoro-N-[2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 3156882
5-fluoro-2-hydroxy-N-(2-thiophen-2-ylethyl)benzamide
CID 79531846
5-[ethyl(phenyl)sulfamoyl]-2-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 23848292
2,5-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 30500868
5-chloro-2-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 887260
2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 3580913
1-[(4-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 3700183
N-[2-(2,5-difluorophenyl)ethyl]-2-thiophen-2-ylacetamide
CID 110788173

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 2,5-difluoro-N-(thiophen-2-ylmethyl)benzamide (CID 71822121) is 2,5-difluoro-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 2,5-difluoro-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 2,5-difluoro-N-(thiophen-2-ylmethyl)benzamide is O=C(NCc1cccs1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is IVLGZCDVDPXRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NOS/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 2,5-difluoro-N-(thiophen-2-ylmethyl)benzamide?
2,5-difluoro-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 253.27 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 71822121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).