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

C16H14Cl2FNOS — CID 2243462

IUPAC2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[(2-chlorophenyl)methyl]acetamide
SMILESO=C(CSCc1c(F)cccc1Cl)NCc1ccccc1Cl
InChIInChI=1S/C16H14Cl2FNOS/c17-13-5-2-1-4-11(13)8-20-16(21)10-22-9-12-14(18)6-3-7-15(12)19/h1-7H,8-10H2,(H,20,21)
InChIKeyCBIAOUDGGKCCBS-UHFFFAOYSA-N
MW358.27 g/mol
LogP4.68
Rot. Bonds6

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

2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[(2-chlorophenyl)methyl]acetamide (PubChem CID 2243462) has the molecular formula C16H14Cl2FNOS and a molecular weight of 358.27 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[(2-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[(2-chlorophenyl)methyl]acetamide
PubChem CID2243462
Molecular FormulaC16H14Cl2FNOS
Molecular Weight358.27 g/mol
Exact Mass357.02
IUPAC Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[(2-chlorophenyl)methyl]acetamide
SMILESO=C(CSCc1c(F)cccc1Cl)NCc1ccccc1Cl
InChIInChI=1S/C16H14Cl2FNOS/c17-13-5-2-1-4-11(13)8-20-16(21)10-22-9-12-14(18)6-3-7-15(12)19/h1-7H,8-10H2,(H,20,21)
InChIKeyCBIAOUDGGKCCBS-UHFFFAOYSA-N
XLogP4.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-6-fluorobenzyl)thio]-N-(2-phenylethyl)acetamide
CID 961752
N-(4-fluorobenzyl)-2-[(4-methylbenzyl)thio]acetamide
CID 3332623
N-(4-fluorobenzyl)-2-[(4-fluorobenzyl)thio]acetamide
CID 5045192
2-(2,4-Dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one
CID 2872053
2-(2-Chlorophenyl)-1,3-thiazolidin-4-one
CID 3121283
N-benzyl-3-(2-chlorophenyl)acrylamide
CID 5333112
2-benzylsulfonyl-N-[(2-chlorophenyl)methyl]acetamide
CID 2210190
2-(4-Chlorophenyl)-1,3-thiazolidin-4-one
CID 2840721
N-[(4-fluorophenyl)methyl]-2-phenylsulfanylacetamide
CID 894919
(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
2-(2-Chlorophenyl)-5-methyl-1,3-thiazolidin-4-one
CID 2872214

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[(2-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[(2-chlorophenyl)methyl]acetamide (CID 2243462) is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[(2-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[(2-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[(2-chlorophenyl)methyl]acetamide is O=C(CSCc1c(F)cccc1Cl)NCc1ccccc1Cl.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[(2-chlorophenyl)methyl]acetamide?
The InChIKey is CBIAOUDGGKCCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FNOS/c17-13-5-2-1-4-11(13)8-20-16(21)10-22-9-12-14(18)6-3-7-15(12)19/h1-7H,8-10H2,(H,20,21).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[(2-chlorophenyl)methyl]acetamide?
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[(2-chlorophenyl)methyl]acetamide has a molecular weight of 358.27 g/mol, XLogP of 4.68, 6 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-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 2243462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).