2-(2-chloro-6-fluorophenyl)-2-(6-thiophen-3-yl-2-pyridinyl)acetamide

C17H12ClFN2OS — CID 21354134

IUPAC2-(2-chloro-6-fluorophenyl)-2-(6-thiophen-3-yl-2-pyridinyl)acetamide
SMILESNC(=O)C(c1cccc(-c2ccsc2)n1)c1c(F)cccc1Cl
InChIInChI=1S/C17H12ClFN2OS/c18-11-3-1-4-12(19)15(11)16(17(20)22)14-6-2-5-13(21-14)10-7-8-23-9-10/h1-9,16H,(H2,20,22)
InChIKeyXSZHPEOBTXTGIF-UHFFFAOYSA-N
MW346.81 g/mol
LogP4.22
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-2-(6-thiophen-3-yl-2-pyridinyl)acetamide

2-(2-chloro-6-fluorophenyl)-2-(6-thiophen-3-yl-2-pyridinyl)acetamide (PubChem CID 21354134) has the molecular formula C17H12ClFN2OS and a molecular weight of 346.81 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-2-(6-thiophen-3-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-2-(6-thiophen-3-yl-2-pyridinyl)acetamide
PubChem CID21354134
Molecular FormulaC17H12ClFN2OS
Molecular Weight346.81 g/mol
Exact Mass346.03
IUPAC Name2-(2-chloro-6-fluorophenyl)-2-(6-thiophen-3-yl-2-pyridinyl)acetamide
SMILESNC(=O)C(c1cccc(-c2ccsc2)n1)c1c(F)cccc1Cl
InChIInChI=1S/C17H12ClFN2OS/c18-11-3-1-4-12(19)15(11)16(17(20)22)14-6-2-5-13(21-14)10-7-8-23-9-10/h1-9,16H,(H2,20,22)
InChIKeyXSZHPEOBTXTGIF-UHFFFAOYSA-N
XLogP4.22
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-(6-thiophen-3-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-(6-thiophen-3-yl-2-pyridinyl)acetamide (CID 21354134) is 2-(2-chloro-6-fluorophenyl)-2-(6-thiophen-3-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-2-(6-thiophen-3-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-2-(6-thiophen-3-yl-2-pyridinyl)acetamide is NC(=O)C(c1cccc(-c2ccsc2)n1)c1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-2-(6-thiophen-3-yl-2-pyridinyl)acetamide?
The InChIKey is XSZHPEOBTXTGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2OS/c18-11-3-1-4-12(19)15(11)16(17(20)22)14-6-2-5-13(21-14)10-7-8-23-9-10/h1-9,16H,(H2,20,22).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-2-(6-thiophen-3-yl-2-pyridinyl)acetamide?
2-(2-chloro-6-fluorophenyl)-2-(6-thiophen-3-yl-2-pyridinyl)acetamide has a molecular weight of 346.81 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-2-(6-thiophen-3-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 21354134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).