2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide

C17H14ClF3N2O2S2 — CID 26380132

About 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide (PubChem CID 26380132) has the molecular formula C17H14ClF3N2O2S2 and a molecular weight of 434.89 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide
• PubChem CID: 26380132
• Molecular Formula: C17H14ClF3N2O2S2
• Molecular Weight: 434.89 g/mol
• Exact Mass: 434.01
• IUPAC Name: 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide
• SMILES: O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1cccc(C2SCCS2)c1
• InChI: InChI=1S/C17H14ClF3N2O2S2/c18-13-7-11(17(19,20)21)8-23(15(13)25)9-14(24)22-12-3-1-2-10(6-12)16-26-4-5-27-16/h1-3,6-8,16H,4-5,9H2,(H,22,24)
• InChIKey: LQXPTBCWQNIBGO-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 51.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.89
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide?

The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide (CID 26380132) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide.

What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide?

The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide is O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1cccc(C2SCCS2)c1.

What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide?

The InChIKey is LQXPTBCWQNIBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N2O2S2/c18-13-7-11(17(19,20)21)8-23(15(13)25)9-14(24)22-12-3-1-2-10(6-12)16-26-4-5-27-16/h1-3,6-8,16H,4-5,9H2,(H,22,24).

What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide?

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide has a molecular weight of 434.89 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide is sourced from PubChem (CID 26380132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).