2-[(2-chloro-4-fluorophenyl)methylsulfanyl]propanamide

C10H11ClFNOS — CID 47160144

IUPAC2-[(2-chloro-4-fluorophenyl)methylsulfanyl]propanamide
SMILESCC(SCc1ccc(F)cc1Cl)C(N)=O
InChIInChI=1S/C10H11ClFNOS/c1-6(10(13)14)15-5-7-2-3-8(12)4-9(7)11/h2-4,6H,5H2,1H3,(H2,13,14)
InChIKeyMPDVVKJFFONTSY-UHFFFAOYSA-N
MW247.72 g/mol
LogP2.59
Rot. Bonds4

About 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]propanamide

2-[(2-chloro-4-fluorophenyl)methylsulfanyl]propanamide (PubChem CID 47160144) has the molecular formula C10H11ClFNOS and a molecular weight of 247.72 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]propanamide.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)methylsulfanyl]propanamide
PubChem CID47160144
Molecular FormulaC10H11ClFNOS
Molecular Weight247.72 g/mol
Exact Mass247.02
IUPAC Name2-[(2-chloro-4-fluorophenyl)methylsulfanyl]propanamide
SMILESCC(SCc1ccc(F)cc1Cl)C(N)=O
InChIInChI=1S/C10H11ClFNOS/c1-6(10(13)14)15-5-7-2-3-8(12)4-9(7)11/h2-4,6H,5H2,1H3,(H2,13,14)
InChIKeyMPDVVKJFFONTSY-UHFFFAOYSA-N
XLogP2.59
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]propanamide?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]propanamide (CID 47160144) is 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]propanamide.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]propanamide?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]propanamide is CC(SCc1ccc(F)cc1Cl)C(N)=O.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]propanamide?
The InChIKey is MPDVVKJFFONTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNOS/c1-6(10(13)14)15-5-7-2-3-8(12)4-9(7)11/h2-4,6H,5H2,1H3,(H2,13,14).
What are the key properties of 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]propanamide?
2-[(2-chloro-4-fluorophenyl)methylsulfanyl]propanamide has a molecular weight of 247.72 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]propanamide is sourced from PubChem (CID 47160144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).