2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-thiophen-3-ylacetamide

C12H8ClF3N2OS — CID 3702182

IUPAC2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-thiophen-3-ylacetamide
SMILESNC(=O)C(c1ccsc1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H8ClF3N2OS/c13-8-3-7(12(14,15)16)4-18-10(8)9(11(17)19)6-1-2-20-5-6/h1-5,9H,(H2,17,19)
InChIKeyAVBJLUPAAYMMGZ-UHFFFAOYSA-N
MW320.72 g/mol
LogP3.43
Rot. Bonds3

About 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-thiophen-3-ylacetamide

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-thiophen-3-ylacetamide (PubChem CID 3702182) has the molecular formula C12H8ClF3N2OS and a molecular weight of 320.72 g/mol. Its IUPAC name is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-thiophen-3-ylacetamide
PubChem CID3702182
Molecular FormulaC12H8ClF3N2OS
Molecular Weight320.72 g/mol
Exact Mass320.00
IUPAC Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-thiophen-3-ylacetamide
SMILESNC(=O)C(c1ccsc1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H8ClF3N2OS/c13-8-3-7(12(14,15)16)4-18-10(8)9(11(17)19)6-1-2-20-5-6/h1-5,9H,(H2,17,19)
InChIKeyAVBJLUPAAYMMGZ-UHFFFAOYSA-N
XLogP3.43
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.72
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-thiophen-3-ylacetamide?
The IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-thiophen-3-ylacetamide (CID 3702182) is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-thiophen-3-ylacetamide is NC(=O)C(c1ccsc1)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-thiophen-3-ylacetamide?
The InChIKey is AVBJLUPAAYMMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2OS/c13-8-3-7(12(14,15)16)4-18-10(8)9(11(17)19)6-1-2-20-5-6/h1-5,9H,(H2,17,19).
What are the key properties of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-thiophen-3-ylacetamide?
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-thiophen-3-ylacetamide has a molecular weight of 320.72 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 3702182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).