2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide

C17H17ClFNOS — CID 961752

IUPAC2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
SMILESO=C(CSCc1c(F)cccc1Cl)NCCc1ccccc1
InChIInChI=1S/C17H17ClFNOS/c18-15-7-4-8-16(19)14(15)11-22-12-17(21)20-10-9-13-5-2-1-3-6-13/h1-8H,9-12H2,(H,20,21)
InChIKeyYBEFXGONUZSMRV-UHFFFAOYSA-N
MW337.85 g/mol
LogP4.07
Rot. Bonds7

About 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide

2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide (PubChem CID 961752) has the molecular formula C17H17ClFNOS and a molecular weight of 337.85 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
PubChem CID961752
Molecular FormulaC17H17ClFNOS
Molecular Weight337.85 g/mol
Exact Mass337.07
IUPAC Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
SMILESO=C(CSCc1c(F)cccc1Cl)NCCc1ccccc1
InChIInChI=1S/C17H17ClFNOS/c18-15-7-4-8-16(19)14(15)11-22-12-17(21)20-10-9-13-5-2-1-3-6-13/h1-8H,9-12H2,(H,20,21)
InChIKeyYBEFXGONUZSMRV-UHFFFAOYSA-N
XLogP4.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-fluorobenzyl)thio]-N-[2-(4-methylphenyl)ethyl]acetamide
CID 3324373
3-[(3-fluorobenzyl)thio]-N-(2-phenylethyl)propanamide
CID 5055551
2-(2-Chlorophenyl)-1,3-thiazolidin-4-one
CID 3121283
2-((bis(4-chlorophenyl)methyl)thio)-N-(3-phenylpropyl)acetamide
CID 76332747
2-benzylsulfonyl-N-[(2-chlorophenyl)methyl]acetamide
CID 2210190
3-(2-chlorophenyl)-N-(2-phenylethyl)acrylamide
CID 700599
2-[(2-chlorobenzyl)sulfanyl]-N-(propan-2-yl)acetamide
CID 875617
(E)-3-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide
CID 1122223
N-{2-[(2-chloro-6-fluorobenzyl)thio]ethyl}-3-phenylpropanamide
CID 2210668
3-(2-chlorophenyl)-N-{2-[(4-methylbenzyl)thio]ethyl}acrylamide
CID 2251340
N-{2-[(4-chlorobenzyl)thio]ethyl}-2-phenylacetamide
CID 2278688
N-[(2-Chlorophenyl)methyl]-3-{[(3-chlorophenyl)methyl]sulfanyl}propanamide
CID 4219372

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide (CID 961752) is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide is O=C(CSCc1c(F)cccc1Cl)NCCc1ccccc1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide?
The InChIKey is YBEFXGONUZSMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNOS/c18-15-7-4-8-16(19)14(15)11-22-12-17(21)20-10-9-13-5-2-1-3-6-13/h1-8H,9-12H2,(H,20,21).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide?
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide has a molecular weight of 337.85 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 961752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).