N-[(2-chloro-6-fluorophenyl)methyl]-2-(2-fluorophenyl)sulfanyl-N-methylacetamide

C16H14ClF2NOS — CID 112778431

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-2-(2-fluorophenyl)sulfanyl-N-methylacetamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)CSc1ccccc1F
InChIInChI=1S/C16H14ClF2NOS/c1-20(9-11-12(17)5-4-7-13(11)18)16(21)10-22-15-8-3-2-6-14(15)19/h2-8H,9-10H2,1H3
InChIKeyDQWSTNQYCALYIZ-UHFFFAOYSA-N
MW341.81 g/mol
LogP4.37
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methyl]-2-(2-fluorophenyl)sulfanyl-N-methylacetamide

N-[(2-chloro-6-fluorophenyl)methyl]-2-(2-fluorophenyl)sulfanyl-N-methylacetamide (PubChem CID 112778431) has the molecular formula C16H14ClF2NOS and a molecular weight of 341.81 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-2-(2-fluorophenyl)sulfanyl-N-methylacetamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-2-(2-fluorophenyl)sulfanyl-N-methylacetamide
PubChem CID112778431
Molecular FormulaC16H14ClF2NOS
Molecular Weight341.81 g/mol
Exact Mass341.05
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-2-(2-fluorophenyl)sulfanyl-N-methylacetamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)CSc1ccccc1F
InChIInChI=1S/C16H14ClF2NOS/c1-20(9-11-12(17)5-4-7-13(11)18)16(21)10-22-15-8-3-2-6-14(15)19/h2-8H,9-10H2,1H3
InChIKeyDQWSTNQYCALYIZ-UHFFFAOYSA-N
XLogP4.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.81
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-Chloro-4-fluorophenyl)methyl]-3-{[(2-chlorophenyl)methyl]sulfanyl}propanamide
CID 4987746
N-[(2-Chloro-4-fluorophenyl)methyl]-3-{[(4-chlorophenyl)methyl]sulfanyl}propanamide
CID 16034235
N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2105395
2-(2,4-dichlorophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide
CID 71229976
N-[(4-chlorophenyl)methyl]-2-[ethyl-[2-(2-fluorophenyl)sulfanylacetyl]amino]acetamide
CID 24982639
N-[(2-Chloro-4-fluorophenyl)methyl]-3-{[(4-methylphenyl)methyl]sulfanyl}propanamide
CID 4086398
N-[(2-Chloro-4-fluorophenyl)methyl]-3-{[(3-chlorophenyl)methyl]sulfanyl}propanamide
CID 5057437
N-[(4-chlorophenyl)methyl]-2-[ethyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide
CID 16552641
N-(2-chlorobenzyl)-2-[(2-chloro-6-fluorobenzyl)sulfanyl]acetamide
CID 2243462
N-[(2-Chloro-4-fluorophenyl)methyl]-3-{[(2-fluorophenyl)methyl]sulfanyl}propanamide
CID 5053575
2-(2-Chloro-6-fluoro-phenyl)-3-(5-methylthiophen-2-ylmethyl)-thiazolidin-4-one
CID 25058719
2-(2-Chloro-6-fluoro-phenyl)-3-(2-thienylmethyl)thiazolidin-4-one
CID 25058767

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2-(2-fluorophenyl)sulfanyl-N-methylacetamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2-(2-fluorophenyl)sulfanyl-N-methylacetamide (CID 112778431) is N-[(2-chloro-6-fluorophenyl)methyl]-2-(2-fluorophenyl)sulfanyl-N-methylacetamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-2-(2-fluorophenyl)sulfanyl-N-methylacetamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-2-(2-fluorophenyl)sulfanyl-N-methylacetamide is CN(Cc1c(F)cccc1Cl)C(=O)CSc1ccccc1F.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-2-(2-fluorophenyl)sulfanyl-N-methylacetamide?
The InChIKey is DQWSTNQYCALYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NOS/c1-20(9-11-12(17)5-4-7-13(11)18)16(21)10-22-15-8-3-2-6-14(15)19/h2-8H,9-10H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-2-(2-fluorophenyl)sulfanyl-N-methylacetamide?
N-[(2-chloro-6-fluorophenyl)methyl]-2-(2-fluorophenyl)sulfanyl-N-methylacetamide has a molecular weight of 341.81 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-2-(2-fluorophenyl)sulfanyl-N-methylacetamide is sourced from PubChem (CID 112778431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).