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

C18H19ClFNOS — CID 112776875

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccccc1CSCC(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C18H19ClFNOS/c1-13-6-3-4-7-14(13)11-23-12-18(22)21(2)10-15-16(19)8-5-9-17(15)20/h3-9H,10-12H2,1-2H3
InChIKeyORONWEULKZFUHU-UHFFFAOYSA-N
MW351.87 g/mol
LogP4.68
Rot. Bonds6

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

N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(2-methylphenyl)methylsulfanyl]acetamide (PubChem CID 112776875) has the molecular formula C18H19ClFNOS and a molecular weight of 351.87 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(2-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(2-methylphenyl)methylsulfanyl]acetamide
PubChem CID112776875
Molecular FormulaC18H19ClFNOS
Molecular Weight351.87 g/mol
Exact Mass351.09
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccccc1CSCC(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C18H19ClFNOS/c1-13-6-3-4-7-14(13)11-23-12-18(22)21(2)10-15-16(19)8-5-9-17(15)20/h3-9H,10-12H2,1-2H3
InChIKeyORONWEULKZFUHU-UHFFFAOYSA-N
XLogP4.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.87
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-methylacetamide
CID 961833
2-(2-aminophenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 61115408
2-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 31181878
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[1-(2-methylphenyl)ethylamino]acetamide
CID 112769477
2-[(2,6-dichlorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-propan-2-ylpropanamide
CID 132676971
(2R)-2-[(2,6-dichlorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-propan-2-ylpropanamide
CID 100705325
N-benzyl-2-[(2-chlorophenyl)methylsulfanyl]-N-methylacetamide
CID 112768933
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
N-[(2-chloro-6-fluorophenyl)methyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-methylacetamide
CID 17414568
3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
CID 43470580
2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 107982395
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(4-phenylphenyl)acetamide
CID 2450064

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(2-methylphenyl)methylsulfanyl]acetamide (CID 112776875) is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(2-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(2-methylphenyl)methylsulfanyl]acetamide is Cc1ccccc1CSCC(=O)N(C)Cc1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is ORONWEULKZFUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNOS/c1-13-6-3-4-7-14(13)11-23-12-18(22)21(2)10-15-16(19)8-5-9-17(15)20/h3-9H,10-12H2,1-2H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(2-methylphenyl)methylsulfanyl]acetamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(2-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 351.87 g/mol, XLogP of 4.68, 6 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]-N-methyl-2-[(2-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 112776875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).