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

C12H8Cl2FN3O — CID 162428281

IUPAC2-(2-chloro-4-fluorophenyl)-N-(6-chloropyridazin-4-yl)acetamide
SMILESO=C(Cc1ccc(F)cc1Cl)Nc1cnnc(Cl)c1
InChIInChI=1S/C12H8Cl2FN3O/c13-10-4-8(15)2-1-7(10)3-12(19)17-9-5-11(14)18-16-6-9/h1-2,4-6H,3H2,(H,17,18,19)
InChIKeyBYRVLEFIVAEPKT-UHFFFAOYSA-N
MW300.12 g/mol
LogP3.10
Rot. Bonds3

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

2-(2-chloro-4-fluorophenyl)-N-(6-chloropyridazin-4-yl)acetamide (PubChem CID 162428281) has the molecular formula C12H8Cl2FN3O and a molecular weight of 300.12 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-N-(6-chloropyridazin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-N-(6-chloropyridazin-4-yl)acetamide
PubChem CID162428281
Molecular FormulaC12H8Cl2FN3O
Molecular Weight300.12 g/mol
Exact Mass299.00
IUPAC Name2-(2-chloro-4-fluorophenyl)-N-(6-chloropyridazin-4-yl)acetamide
SMILESO=C(Cc1ccc(F)cc1Cl)Nc1cnnc(Cl)c1
InChIInChI=1S/C12H8Cl2FN3O/c13-10-4-8(15)2-1-7(10)3-12(19)17-9-5-11(14)18-16-6-9/h1-2,4-6H,3H2,(H,17,18,19)
InChIKeyBYRVLEFIVAEPKT-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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Related Compounds

N-[3-aminosulfanyl-5-(1-methylpyrazol-4-yl)phenyl]-2-(2-chloro-4-fluorophenyl)acetamide
CID 172630069
2-(2-chloro-4-fluorophenyl)-N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]-3-methylphenyl]acetamide
CID 167200495
N-[3-aminosulfanyl-4-[(4-fluorophenoxy)methyl]phenyl]-2-(2-chloro-4-fluorophenyl)acetamide
CID 167200778
2-(2-chloro-4-fluorophenyl)-N-(4-ethyl-3-methyl-5-sulfamoylphenyl)acetamide
CID 167215417
2-(2-chloro-3-fluorophenyl)-N-[6-(3-fluoroanilino)pyridazin-4-yl]acetamide
CID 162428180
[3-[(2-chloro-4-fluorophenyl)methylamino]phenyl]urea
CID 103818257
N-(6-chloropyridazin-4-yl)-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
CID 149108373
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 19412651
2-(2-chloro-4-fluorophenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide
CID 122146835
2-(2-chloro-4-fluorophenyl)-N-(cyanomethyl)acetamide
CID 126773085
2-(2-chloro-4-fluorophenyl)-N-[(4-chloro-2-fluorophenyl)methyl]acetamide
CID 166226023
N-(5-chloropyrazin-2-yl)-2-(2,4-difluorophenyl)acetamide
CID 107595721

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-(6-chloropyridazin-4-yl)acetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-(6-chloropyridazin-4-yl)acetamide (CID 162428281) is 2-(2-chloro-4-fluorophenyl)-N-(6-chloropyridazin-4-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-N-(6-chloropyridazin-4-yl)acetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-N-(6-chloropyridazin-4-yl)acetamide is O=C(Cc1ccc(F)cc1Cl)Nc1cnnc(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-N-(6-chloropyridazin-4-yl)acetamide?
The InChIKey is BYRVLEFIVAEPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2FN3O/c13-10-4-8(15)2-1-7(10)3-12(19)17-9-5-11(14)18-16-6-9/h1-2,4-6H,3H2,(H,17,18,19).
What are the key properties of 2-(2-chloro-4-fluorophenyl)-N-(6-chloropyridazin-4-yl)acetamide?
2-(2-chloro-4-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-4-fluorophenyl)-N-(6-chloropyridazin-4-yl)acetamide is sourced from PubChem (CID 162428281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).