2-(4-chlorophenyl)sulfanyl-2-fluoro-N,N-dipropylacetamide

C14H19ClFNOS — CID 142101581

IUPAC2-(4-chlorophenyl)sulfanyl-2-fluoro-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)C(F)Sc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClFNOS/c1-3-9-17(10-4-2)14(18)13(16)19-12-7-5-11(15)6-8-12/h5-8,13H,3-4,9-10H2,1-2H3
InChIKeyXFIYFQHGAVROGM-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.38
Rot. Bonds7

About 2-(4-chlorophenyl)sulfanyl-2-fluoro-N,N-dipropylacetamide

2-(4-chlorophenyl)sulfanyl-2-fluoro-N,N-dipropylacetamide (PubChem CID 142101581) has the molecular formula C14H19ClFNOS and a molecular weight of 303.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-2-fluoro-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-2-fluoro-N,N-dipropylacetamide
PubChem CID142101581
Molecular FormulaC14H19ClFNOS
Molecular Weight303.83 g/mol
Exact Mass303.09
IUPAC Name2-(4-chlorophenyl)sulfanyl-2-fluoro-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)C(F)Sc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClFNOS/c1-3-9-17(10-4-2)14(18)13(16)19-12-7-5-11(15)6-8-12/h5-8,13H,3-4,9-10H2,1-2H3
InChIKeyXFIYFQHGAVROGM-UHFFFAOYSA-N
XLogP4.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-2-fluoro-N,N-dipropylacetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-2-fluoro-N,N-dipropylacetamide (CID 142101581) is 2-(4-chlorophenyl)sulfanyl-2-fluoro-N,N-dipropylacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-2-fluoro-N,N-dipropylacetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-2-fluoro-N,N-dipropylacetamide is CCCN(CCC)C(=O)C(F)Sc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-2-fluoro-N,N-dipropylacetamide?
The InChIKey is XFIYFQHGAVROGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNOS/c1-3-9-17(10-4-2)14(18)13(16)19-12-7-5-11(15)6-8-12/h5-8,13H,3-4,9-10H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-2-fluoro-N,N-dipropylacetamide?
2-(4-chlorophenyl)sulfanyl-2-fluoro-N,N-dipropylacetamide has a molecular weight of 303.83 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-2-fluoro-N,N-dipropylacetamide is sourced from PubChem (CID 142101581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).