N-[(4-chlorophenyl)methyl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide

C19H15ClFN3OS — CID 7206210

IUPACN-[(4-chlorophenyl)methyl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
SMILESO=C(CSc1ccc(-c2ccc(F)cc2)nn1)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H15ClFN3OS/c20-15-5-1-13(2-6-15)11-22-18(25)12-26-19-10-9-17(23-24-19)14-3-7-16(21)8-4-14/h1-10H,11-12H2,(H,22,25)
InChIKeyHLCNKPDSSQTAGL-UHFFFAOYSA-N
MW387.87 g/mol
LogP4.34
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide

N-[(4-chlorophenyl)methyl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 7206210) has the molecular formula C19H15ClFN3OS and a molecular weight of 387.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
PubChem CID7206210
Molecular FormulaC19H15ClFN3OS
Molecular Weight387.87 g/mol
Exact Mass387.06
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
SMILESO=C(CSc1ccc(-c2ccc(F)cc2)nn1)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H15ClFN3OS/c20-15-5-1-13(2-6-15)11-22-18(25)12-26-19-10-9-17(23-24-19)14-3-7-16(21)8-4-14/h1-10H,11-12H2,(H,22,25)
InChIKeyHLCNKPDSSQTAGL-UHFFFAOYSA-N
XLogP4.34
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide (CID 7206210) is N-[(4-chlorophenyl)methyl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide is O=C(CSc1ccc(-c2ccc(F)cc2)nn1)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is HLCNKPDSSQTAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3OS/c20-15-5-1-13(2-6-15)11-22-18(25)12-26-19-10-9-17(23-24-19)14-3-7-16(21)8-4-14/h1-10H,11-12H2,(H,22,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide?
N-[(4-chlorophenyl)methyl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 387.87 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 7206210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).