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

C19H15ClFN3OS — CID 8543095

IUPACN-[(2-chlorophenyl)methyl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
SMILESO=C(CSc1ccc(-c2ccc(F)cc2)nn1)NCc1ccccc1Cl
InChIInChI=1S/C19H15ClFN3OS/c20-16-4-2-1-3-14(16)11-22-18(25)12-26-19-10-9-17(23-24-19)13-5-7-15(21)8-6-13/h1-10H,11-12H2,(H,22,25)
InChIKeyWHLPFNUSBUMZJG-UHFFFAOYSA-N
MW387.87 g/mol
LogP4.34
Rot. Bonds6

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

N-[(2-chlorophenyl)methyl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 8543095) has the molecular formula C19H15ClFN3OS and a molecular weight of 387.87 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
PubChem CID8543095
Molecular FormulaC19H15ClFN3OS
Molecular Weight387.87 g/mol
Exact Mass387.06
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
SMILESO=C(CSc1ccc(-c2ccc(F)cc2)nn1)NCc1ccccc1Cl
InChIInChI=1S/C19H15ClFN3OS/c20-16-4-2-1-3-14(16)11-22-18(25)12-26-19-10-9-17(23-24-19)13-5-7-15(21)8-6-13/h1-10H,11-12H2,(H,22,25)
InChIKeyWHLPFNUSBUMZJG-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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Related Compounds

N-[(2-chlorophenyl)methyl]-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
CID 8699366
2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-[(2-chlorophenyl)methyl]acetamide
CID 8543348
N-[(2-chlorophenyl)methyl]-2-[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 18584258
N-[(2-methoxyphenyl)methyl]-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936649
N-[(2-chlorophenyl)methyl]-2-(2,5-difluorophenyl)sulfanylacetamide
CID 9209761
N-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502831
N-benzyl-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 7502583
N-[(2-chlorophenyl)methyl]-2-(2,4-difluorophenyl)sulfanylacetamide
CID 9046111
2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 7205977
N-[(2-chlorophenyl)methyl]-2-quinolin-2-ylsulfanylacetamide
CID 7755233
N-[(2-chlorophenyl)methyl]-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
CID 16916971
N-[(2-chlorophenyl)methyl]-2-[[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide
CID 16815111

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide (CID 8543095) is N-[(2-chlorophenyl)methyl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide is O=C(CSc1ccc(-c2ccc(F)cc2)nn1)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is WHLPFNUSBUMZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3OS/c20-16-4-2-1-3-14(16)11-22-18(25)12-26-19-10-9-17(23-24-19)13-5-7-15(21)8-6-13/h1-10H,11-12H2,(H,22,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide?
N-[(2-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-[(2-chlorophenyl)methyl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 8543095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).