2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide

C15H14ClFN2OS — CID 2712468

IUPAC2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CSCc1c(F)cccc1Cl)NCc1cccnc1
InChIInChI=1S/C15H14ClFN2OS/c16-13-4-1-5-14(17)12(13)9-21-10-15(20)19-8-11-3-2-6-18-7-11/h1-7H,8-10H2,(H,19,20)
InChIKeyRUGGAHNQRIJPDT-UHFFFAOYSA-N
MW324.81 g/mol
LogP3.42
Rot. Bonds6

About 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide

2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 2712468) has the molecular formula C15H14ClFN2OS and a molecular weight of 324.81 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID2712468
Molecular FormulaC15H14ClFN2OS
Molecular Weight324.81 g/mol
Exact Mass324.05
IUPAC Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CSCc1c(F)cccc1Cl)NCc1cccnc1
InChIInChI=1S/C15H14ClFN2OS/c16-13-4-1-5-14(17)12(13)9-21-10-15(20)19-8-11-3-2-6-18-7-11/h1-7H,8-10H2,(H,19,20)
InChIKeyRUGGAHNQRIJPDT-UHFFFAOYSA-N
XLogP3.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Chlorophenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 2731884
3-(3,4-Dichlorobenzyl)-2-(3-pyridyl)-1,3-thiazolan-4-one
CID 2732022
3-(3-Chlorophenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 3293548
2-phenylthio-N-(3-pyridylmethyl)acetamide
CID 800469
3-(4-Chlorobenzyl)-2-(3-pyridyl)-1,3-thiazolan-4-one
CID 2731954
2-(2-chloro-6-fluorophenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 839135
3-(2-chloro-6-fluorophenyl)-N-3-pyridinylacrylamide
CID 887990
2-[(2,6-dichlorobenzyl)sulfanyl]-N-(pyridin-3-yl)acetamide
CID 951606
2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 2971027
3-(2,4-Dichlorobenzyl)-2-(3-pyridyl)-1,3-thiazolan-4-one
CID 2731953
3-(phenylthio)-N-(3-pyridinylmethyl)propanamide
CID 756072
2-[(4-chlorobenzyl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide
CID 801371

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide (CID 2712468) is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide is O=C(CSCc1c(F)cccc1Cl)NCc1cccnc1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is RUGGAHNQRIJPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2OS/c16-13-4-1-5-14(17)12(13)9-21-10-15(20)19-8-11-3-2-6-18-7-11/h1-7H,8-10H2,(H,19,20).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide?
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 324.81 g/mol, XLogP of 3.42, 6 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)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 2712468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).