N-[(4-fluorophenyl)methyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide

C16H15F2NOS — CID 4604458

IUPACN-[(4-fluorophenyl)methyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide
SMILESO=C(CSCc1ccccc1F)NCc1ccc(F)cc1
InChIInChI=1S/C16H15F2NOS/c17-14-7-5-12(6-8-14)9-19-16(20)11-21-10-13-3-1-2-4-15(13)18/h1-8H,9-11H2,(H,19,20)
InChIKeyAQBOATRVXAEECQ-UHFFFAOYSA-N
MW307.37 g/mol
LogP3.51
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide

N-[(4-fluorophenyl)methyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide (PubChem CID 4604458) has the molecular formula C16H15F2NOS and a molecular weight of 307.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide
PubChem CID4604458
Molecular FormulaC16H15F2NOS
Molecular Weight307.37 g/mol
Exact Mass307.08
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide
SMILESO=C(CSCc1ccccc1F)NCc1ccc(F)cc1
InChIInChI=1S/C16H15F2NOS/c17-14-7-5-12(6-8-14)9-19-16(20)11-21-10-13-3-1-2-4-15(13)18/h1-8H,9-11H2,(H,19,20)
InChIKeyAQBOATRVXAEECQ-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide (CID 4604458) is N-[(4-fluorophenyl)methyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide is O=C(CSCc1ccccc1F)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide?
The InChIKey is AQBOATRVXAEECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NOS/c17-14-7-5-12(6-8-14)9-19-16(20)11-21-10-13-3-1-2-4-15(13)18/h1-8H,9-11H2,(H,19,20).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide has a molecular weight of 307.37 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 4604458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).