2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(3-methylbutyl)acetamide

C14H19ClFNOS — CID 2232205

IUPAC2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CSCc1c(F)cccc1Cl
InChIInChI=1S/C14H19ClFNOS/c1-10(2)6-7-17-14(18)9-19-8-11-12(15)4-3-5-13(11)16/h3-5,10H,6-9H2,1-2H3,(H,17,18)
InChIKeyFBEPBZMHZOQMES-UHFFFAOYSA-N
MW303.83 g/mol
LogP3.87
Rot. Bonds7

About 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(3-methylbutyl)acetamide

2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(3-methylbutyl)acetamide (PubChem CID 2232205) has the molecular formula C14H19ClFNOS and a molecular weight of 303.83 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(3-methylbutyl)acetamide
PubChem CID2232205
Molecular FormulaC14H19ClFNOS
Molecular Weight303.83 g/mol
Exact Mass303.09
IUPAC Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CSCc1c(F)cccc1Cl
InChIInChI=1S/C14H19ClFNOS/c1-10(2)6-7-17-14(18)9-19-8-11-12(15)4-3-5-13(11)16/h3-5,10H,6-9H2,1-2H3,(H,17,18)
InChIKeyFBEPBZMHZOQMES-UHFFFAOYSA-N
XLogP3.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(3-methylbutyl)acetamide (CID 2232205) is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)CSCc1c(F)cccc1Cl.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(3-methylbutyl)acetamide?
The InChIKey is FBEPBZMHZOQMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNOS/c1-10(2)6-7-17-14(18)9-19-8-11-12(15)4-3-5-13(11)16/h3-5,10H,6-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(3-methylbutyl)acetamide?
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(3-methylbutyl)acetamide has a molecular weight of 303.83 g/mol, XLogP of 3.87, 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-(3-methylbutyl)acetamide is sourced from PubChem (CID 2232205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).