2-(2-chloro-3-fluorophenyl)-N-(6-chloropyridazin-4-yl)acetamide

C12H8Cl2FN3O — CID 162428170

IUPAC2-(2-chloro-3-fluorophenyl)-N-(6-chloropyridazin-4-yl)acetamide
SMILESO=C(Cc1cccc(F)c1Cl)Nc1cnnc(Cl)c1
InChIInChI=1S/C12H8Cl2FN3O/c13-10-5-8(6-16-18-10)17-11(19)4-7-2-1-3-9(15)12(7)14/h1-3,5-6H,4H2,(H,17,18,19)
InChIKeyWCTNQOYUBQSRJB-UHFFFAOYSA-N
MW300.12 g/mol
LogP3.10
Rot. Bonds3

About 2-(2-chloro-3-fluorophenyl)-N-(6-chloropyridazin-4-yl)acetamide

2-(2-chloro-3-fluorophenyl)-N-(6-chloropyridazin-4-yl)acetamide (PubChem CID 162428170) has the molecular formula C12H8Cl2FN3O and a molecular weight of 300.12 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-N-(6-chloropyridazin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-N-(6-chloropyridazin-4-yl)acetamide
PubChem CID162428170
Molecular FormulaC12H8Cl2FN3O
Molecular Weight300.12 g/mol
Exact Mass299.00
IUPAC Name2-(2-chloro-3-fluorophenyl)-N-(6-chloropyridazin-4-yl)acetamide
SMILESO=C(Cc1cccc(F)c1Cl)Nc1cnnc(Cl)c1
InChIInChI=1S/C12H8Cl2FN3O/c13-10-5-8(6-16-18-10)17-11(19)4-7-2-1-3-9(15)12(7)14/h1-3,5-6H,4H2,(H,17,18,19)
InChIKeyWCTNQOYUBQSRJB-UHFFFAOYSA-N
XLogP3.10
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.12
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-N-(6-chloropyridazin-4-yl)acetamide?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-N-(6-chloropyridazin-4-yl)acetamide (CID 162428170) is 2-(2-chloro-3-fluorophenyl)-N-(6-chloropyridazin-4-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-N-(6-chloropyridazin-4-yl)acetamide?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-N-(6-chloropyridazin-4-yl)acetamide is O=C(Cc1cccc(F)c1Cl)Nc1cnnc(Cl)c1.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-N-(6-chloropyridazin-4-yl)acetamide?
The InChIKey is WCTNQOYUBQSRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2FN3O/c13-10-5-8(6-16-18-10)17-11(19)4-7-2-1-3-9(15)12(7)14/h1-3,5-6H,4H2,(H,17,18,19).
What are the key properties of 2-(2-chloro-3-fluorophenyl)-N-(6-chloropyridazin-4-yl)acetamide?
2-(2-chloro-3-fluorophenyl)-N-(6-chloropyridazin-4-yl)acetamide has a molecular weight of 300.12 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluorophenyl)-N-(6-chloropyridazin-4-yl)acetamide is sourced from PubChem (CID 162428170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).