2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(1-phenylpropyl)acetamide

C18H19ClFNOS — CID 43877007

IUPAC2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(1-phenylpropyl)acetamide
SMILESCCC(NC(=O)CSCc1c(F)cccc1Cl)c1ccccc1
InChIInChI=1S/C18H19ClFNOS/c1-2-17(13-7-4-3-5-8-13)21-18(22)12-23-11-14-15(19)9-6-10-16(14)20/h3-10,17H,2,11-12H2,1H3,(H,21,22)
InChIKeyMYVZQBUASHWXPZ-UHFFFAOYSA-N
MW351.87 g/mol
LogP4.98
Rot. Bonds7

About 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(1-phenylpropyl)acetamide

2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(1-phenylpropyl)acetamide (PubChem CID 43877007) has the molecular formula C18H19ClFNOS and a molecular weight of 351.87 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(1-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(1-phenylpropyl)acetamide
PubChem CID43877007
Molecular FormulaC18H19ClFNOS
Molecular Weight351.87 g/mol
Exact Mass351.09
IUPAC Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(1-phenylpropyl)acetamide
SMILESCCC(NC(=O)CSCc1c(F)cccc1Cl)c1ccccc1
InChIInChI=1S/C18H19ClFNOS/c1-2-17(13-7-4-3-5-8-13)21-18(22)12-23-11-14-15(19)9-6-10-16(14)20/h3-10,17H,2,11-12H2,1H3,(H,21,22)
InChIKeyMYVZQBUASHWXPZ-UHFFFAOYSA-N
XLogP4.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.87
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 99950892
2-benzylsulfanyl-N-[(1S)-1-phenylpropyl]acetamide
CID 30381565
2-[(2-fluorophenyl)methylsulfanyl]-N-[1-(4-methylsulfonylphenyl)propyl]acetamide
CID 132660181
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133202334
2-(2-chlorophenyl)-N-(1-phenylpropyl)acetamide
CID 17328141
N-[(1S)-1-phenylpropyl]-2-phenylsulfanylacetamide
CID 94013315
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(2,4-dimethylphenyl)propyl]acetamide
CID 132660242
1-(2-chloro-6-fluorophenyl)-N-(1-phenylpropyl)methanesulfonamide
CID 43905570
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide
CID 2823473
2-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]-N-propylbenzamide
CID 2235778
2-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 839132
2-[(4-chlorophenyl)methylsulfanyl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 92672507

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(1-phenylpropyl)acetamide?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(1-phenylpropyl)acetamide (CID 43877007) is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(1-phenylpropyl)acetamide.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(1-phenylpropyl)acetamide?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(1-phenylpropyl)acetamide is CCC(NC(=O)CSCc1c(F)cccc1Cl)c1ccccc1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(1-phenylpropyl)acetamide?
The InChIKey is MYVZQBUASHWXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNOS/c1-2-17(13-7-4-3-5-8-13)21-18(22)12-23-11-14-15(19)9-6-10-16(14)20/h3-10,17H,2,11-12H2,1H3,(H,21,22).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(1-phenylpropyl)acetamide?
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(1-phenylpropyl)acetamide has a molecular weight of 351.87 g/mol, XLogP of 4.98, 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-(1-phenylpropyl)acetamide is sourced from PubChem (CID 43877007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).