N-(2,5-difluorophenyl)-2-thiophen-3-ylacetamide

C12H9F2NOS — CID 7770356

IUPACN-(2,5-difluorophenyl)-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)Nc1cc(F)ccc1F
InChIInChI=1S/C12H9F2NOS/c13-9-1-2-10(14)11(6-9)15-12(16)5-8-3-4-17-7-8/h1-4,6-7H,5H2,(H,15,16)
InChIKeyHGRYVQBKXLVGFO-UHFFFAOYSA-N
MW253.27 g/mol
LogP3.21
Rot. Bonds3

About N-(2,5-difluorophenyl)-2-thiophen-3-ylacetamide

N-(2,5-difluorophenyl)-2-thiophen-3-ylacetamide (PubChem CID 7770356) has the molecular formula C12H9F2NOS and a molecular weight of 253.27 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-thiophen-3-ylacetamide
PubChem CID7770356
Molecular FormulaC12H9F2NOS
Molecular Weight253.27 g/mol
Exact Mass253.04
IUPAC NameN-(2,5-difluorophenyl)-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)Nc1cc(F)ccc1F
InChIInChI=1S/C12H9F2NOS/c13-9-1-2-10(14)11(6-9)15-12(16)5-8-3-4-17-7-8/h1-4,6-7H,5H2,(H,15,16)
InChIKeyHGRYVQBKXLVGFO-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-thiophen-3-ylacetamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-thiophen-3-ylacetamide (CID 7770356) is N-(2,5-difluorophenyl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)Nc1cc(F)ccc1F.
What is the InChIKey of N-(2,5-difluorophenyl)-2-thiophen-3-ylacetamide?
The InChIKey is HGRYVQBKXLVGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NOS/c13-9-1-2-10(14)11(6-9)15-12(16)5-8-3-4-17-7-8/h1-4,6-7H,5H2,(H,15,16).
What are the key properties of N-(2,5-difluorophenyl)-2-thiophen-3-ylacetamide?
N-(2,5-difluorophenyl)-2-thiophen-3-ylacetamide has a molecular weight of 253.27 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 7770356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).