N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide

C18H14ClFN4O — CID 113047562

IUPACN-[6-(4-chloroanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
SMILESO=C(Cc1ccccc1F)Nc1ccc(Nc2ccc(Cl)cc2)nn1
InChIInChI=1S/C18H14ClFN4O/c19-13-5-7-14(8-6-13)21-16-9-10-17(24-23-16)22-18(25)11-12-3-1-2-4-15(12)20/h1-10H,11H2,(H,21,23)(H,22,24,25)
InChIKeyRDNHVNZERWJFOP-UHFFFAOYSA-N
MW356.79 g/mol
LogP4.19
Rot. Bonds5

About N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide

N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide (PubChem CID 113047562) has the molecular formula C18H14ClFN4O and a molecular weight of 356.79 g/mol. Its IUPAC name is N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[6-(4-chloroanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
PubChem CID113047562
Molecular FormulaC18H14ClFN4O
Molecular Weight356.79 g/mol
Exact Mass356.08
IUPAC NameN-[6-(4-chloroanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
SMILESO=C(Cc1ccccc1F)Nc1ccc(Nc2ccc(Cl)cc2)nn1
InChIInChI=1S/C18H14ClFN4O/c19-13-5-7-14(8-6-13)21-16-9-10-17(24-23-16)22-18(25)11-12-3-1-2-4-15(12)20/h1-10H,11H2,(H,21,23)(H,22,24,25)
InChIKeyRDNHVNZERWJFOP-UHFFFAOYSA-N
XLogP4.19
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.79
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
CID 113047929
N-[6-(3-acetylanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
CID 113049086
N-[6-(4-fluoroanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113018345
N-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
CID 113046519
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113047543
2-chloro-N-[6-(4-chloroanilino)pyridazin-3-yl]benzamide
CID 113047552
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide
CID 113047565
N-[6-(2-cyanoanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
CID 113051142
2-(4-chlorophenyl)-N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]acetamide
CID 113027010
N-[5-(3-chloroanilino)-2-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113033314
N-[4-(4-fluoroanilino)phenyl]-2-(2-fluorophenyl)acetamide
CID 112986867
N-[4-(3,4-difluoroanilino)phenyl]-2-(2-fluorophenyl)acetamide
CID 112990293

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide (CID 113047562) is N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide is O=C(Cc1ccccc1F)Nc1ccc(Nc2ccc(Cl)cc2)nn1.
What is the InChIKey of N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide?
The InChIKey is RDNHVNZERWJFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O/c19-13-5-7-14(8-6-13)21-16-9-10-17(24-23-16)22-18(25)11-12-3-1-2-4-15(12)20/h1-10H,11H2,(H,21,23)(H,22,24,25).
What are the key properties of N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide?
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide has a molecular weight of 356.79 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 113047562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).