2-(4-amino-2-chlorophenyl)-2-[6-(2-chloro-4-fluorophenyl)sulfanylpyridazin-3-yl]acetamide

C18H13Cl2FN4OS — CID 21354147

IUPAC2-(4-amino-2-chlorophenyl)-2-[6-(2-chloro-4-fluorophenyl)sulfanylpyridazin-3-yl]acetamide
SMILESNC(=O)C(c1ccc(Sc2ccc(F)cc2Cl)nn1)c1ccc(N)cc1Cl
InChIInChI=1S/C18H13Cl2FN4OS/c19-12-8-10(22)2-3-11(12)17(18(23)26)14-4-6-16(25-24-14)27-15-5-1-9(21)7-13(15)20/h1-8,17H,22H2,(H2,23,26)
InChIKeyVRZJTCJGKMQWFI-UHFFFAOYSA-N
MW423.30 g/mol
LogP4.27
Rot. Bonds5

About 2-(4-amino-2-chlorophenyl)-2-[6-(2-chloro-4-fluorophenyl)sulfanylpyridazin-3-yl]acetamide

2-(4-amino-2-chlorophenyl)-2-[6-(2-chloro-4-fluorophenyl)sulfanylpyridazin-3-yl]acetamide (PubChem CID 21354147) has the molecular formula C18H13Cl2FN4OS and a molecular weight of 423.30 g/mol. Its IUPAC name is 2-(4-amino-2-chlorophenyl)-2-[6-(2-chloro-4-fluorophenyl)sulfanylpyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-amino-2-chlorophenyl)-2-[6-(2-chloro-4-fluorophenyl)sulfanylpyridazin-3-yl]acetamide
PubChem CID21354147
Molecular FormulaC18H13Cl2FN4OS
Molecular Weight423.30 g/mol
Exact Mass422.02
IUPAC Name2-(4-amino-2-chlorophenyl)-2-[6-(2-chloro-4-fluorophenyl)sulfanylpyridazin-3-yl]acetamide
SMILESNC(=O)C(c1ccc(Sc2ccc(F)cc2Cl)nn1)c1ccc(N)cc1Cl
InChIInChI=1S/C18H13Cl2FN4OS/c19-12-8-10(22)2-3-11(12)17(18(23)26)14-4-6-16(25-24-14)27-15-5-1-9(21)7-13(15)20/h1-8,17H,22H2,(H2,23,26)
InChIKeyVRZJTCJGKMQWFI-UHFFFAOYSA-N
XLogP4.27
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.30
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-chlorophenyl)-2-[6-(2-chloro-4-fluorophenyl)sulfanylpyridazin-3-yl]acetamide?
The IUPAC name of 2-(4-amino-2-chlorophenyl)-2-[6-(2-chloro-4-fluorophenyl)sulfanylpyridazin-3-yl]acetamide (CID 21354147) is 2-(4-amino-2-chlorophenyl)-2-[6-(2-chloro-4-fluorophenyl)sulfanylpyridazin-3-yl]acetamide.
What is the SMILES notation for 2-(4-amino-2-chlorophenyl)-2-[6-(2-chloro-4-fluorophenyl)sulfanylpyridazin-3-yl]acetamide?
The canonical SMILES for 2-(4-amino-2-chlorophenyl)-2-[6-(2-chloro-4-fluorophenyl)sulfanylpyridazin-3-yl]acetamide is NC(=O)C(c1ccc(Sc2ccc(F)cc2Cl)nn1)c1ccc(N)cc1Cl.
What is the InChIKey of 2-(4-amino-2-chlorophenyl)-2-[6-(2-chloro-4-fluorophenyl)sulfanylpyridazin-3-yl]acetamide?
The InChIKey is VRZJTCJGKMQWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2FN4OS/c19-12-8-10(22)2-3-11(12)17(18(23)26)14-4-6-16(25-24-14)27-15-5-1-9(21)7-13(15)20/h1-8,17H,22H2,(H2,23,26).
What are the key properties of 2-(4-amino-2-chlorophenyl)-2-[6-(2-chloro-4-fluorophenyl)sulfanylpyridazin-3-yl]acetamide?
2-(4-amino-2-chlorophenyl)-2-[6-(2-chloro-4-fluorophenyl)sulfanylpyridazin-3-yl]acetamide has a molecular weight of 423.30 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-chlorophenyl)-2-[6-(2-chloro-4-fluorophenyl)sulfanylpyridazin-3-yl]acetamide is sourced from PubChem (CID 21354147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).