N-(3-chloro-4-pyridin-2-ylsulfanylphenyl)-2-(4-fluorophenyl)acetamide

C19H14ClFN2OS — CID 17139098

IUPACN-(3-chloro-4-pyridin-2-ylsulfanylphenyl)-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc(Sc2ccccn2)c(Cl)c1
InChIInChI=1S/C19H14ClFN2OS/c20-16-12-15(8-9-17(16)25-19-3-1-2-10-22-19)23-18(24)11-13-4-6-14(21)7-5-13/h1-10,12H,11H2,(H,23,24)
InChIKeyIPVBKDMTIOJVIB-UHFFFAOYSA-N
MW372.85 g/mol
LogP5.21
Rot. Bonds5

About N-(3-chloro-4-pyridin-2-ylsulfanylphenyl)-2-(4-fluorophenyl)acetamide

N-(3-chloro-4-pyridin-2-ylsulfanylphenyl)-2-(4-fluorophenyl)acetamide (PubChem CID 17139098) has the molecular formula C19H14ClFN2OS and a molecular weight of 372.85 g/mol. Its IUPAC name is N-(3-chloro-4-pyridin-2-ylsulfanylphenyl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-pyridin-2-ylsulfanylphenyl)-2-(4-fluorophenyl)acetamide
PubChem CID17139098
Molecular FormulaC19H14ClFN2OS
Molecular Weight372.85 g/mol
Exact Mass372.05
IUPAC NameN-(3-chloro-4-pyridin-2-ylsulfanylphenyl)-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc(Sc2ccccn2)c(Cl)c1
InChIInChI=1S/C19H14ClFN2OS/c20-16-12-15(8-9-17(16)25-19-3-1-2-10-22-19)23-18(24)11-13-4-6-14(21)7-5-13/h1-10,12H,11H2,(H,23,24)
InChIKeyIPVBKDMTIOJVIB-UHFFFAOYSA-N
XLogP5.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.85
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-pyridin-2-ylsulfanylphenyl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(3-chloro-4-pyridin-2-ylsulfanylphenyl)-2-(4-fluorophenyl)acetamide (CID 17139098) is N-(3-chloro-4-pyridin-2-ylsulfanylphenyl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(3-chloro-4-pyridin-2-ylsulfanylphenyl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(3-chloro-4-pyridin-2-ylsulfanylphenyl)-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)Nc1ccc(Sc2ccccn2)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-pyridin-2-ylsulfanylphenyl)-2-(4-fluorophenyl)acetamide?
The InChIKey is IPVBKDMTIOJVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN2OS/c20-16-12-15(8-9-17(16)25-19-3-1-2-10-22-19)23-18(24)11-13-4-6-14(21)7-5-13/h1-10,12H,11H2,(H,23,24).
What are the key properties of N-(3-chloro-4-pyridin-2-ylsulfanylphenyl)-2-(4-fluorophenyl)acetamide?
N-(3-chloro-4-pyridin-2-ylsulfanylphenyl)-2-(4-fluorophenyl)acetamide has a molecular weight of 372.85 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-pyridin-2-ylsulfanylphenyl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 17139098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).