2-(2-chloro-6-fluorophenyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]acetamide

C15H19ClFNO2S — CID 86265233

IUPAC2-(2-chloro-6-fluorophenyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCCSC1CCOCC1
InChIInChI=1S/C15H19ClFNO2S/c16-13-2-1-3-14(17)12(13)10-15(19)18-6-9-21-11-4-7-20-8-5-11/h1-3,11H,4-10H2,(H,18,19)
InChIKeyMIKWTMKAZIFHJJ-UHFFFAOYSA-N
MW331.84 g/mol
LogP3.05
Rot. Bonds6

About 2-(2-chloro-6-fluorophenyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]acetamide (PubChem CID 86265233) has the molecular formula C15H19ClFNO2S and a molecular weight of 331.84 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]acetamide
PubChem CID86265233
Molecular FormulaC15H19ClFNO2S
Molecular Weight331.84 g/mol
Exact Mass331.08
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCCSC1CCOCC1
InChIInChI=1S/C15H19ClFNO2S/c16-13-2-1-3-14(17)12(13)10-15(19)18-6-9-21-11-4-7-20-8-5-11/h1-3,11H,4-10H2,(H,18,19)
InChIKeyMIKWTMKAZIFHJJ-UHFFFAOYSA-N
XLogP3.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]acetamide (CID 86265233) is 2-(2-chloro-6-fluorophenyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]acetamide is O=C(Cc1c(F)cccc1Cl)NCCSC1CCOCC1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]acetamide?
The InChIKey is MIKWTMKAZIFHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO2S/c16-13-2-1-3-14(17)12(13)10-15(19)18-6-9-21-11-4-7-20-8-5-11/h1-3,11H,4-10H2,(H,18,19).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]acetamide has a molecular weight of 331.84 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 86265233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).