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

C20H17FN4O2 — CID 113049086

IUPACN-[6-(3-acetylanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
SMILESCC(=O)c1cccc(Nc2ccc(NC(=O)Cc3ccccc3F)nn2)c1
InChIInChI=1S/C20H17FN4O2/c1-13(26)14-6-4-7-16(11-14)22-18-9-10-19(25-24-18)23-20(27)12-15-5-2-3-8-17(15)21/h2-11H,12H2,1H3,(H,22,24)(H,23,25,27)
InChIKeyIFJIMPWMNRWQCG-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.74
Rot. Bonds6

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

N-[6-(3-acetylanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide (PubChem CID 113049086) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is N-[6-(3-acetylanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[6-(3-acetylanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
PubChem CID113049086
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC NameN-[6-(3-acetylanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
SMILESCC(=O)c1cccc(Nc2ccc(NC(=O)Cc3ccccc3F)nn2)c1
InChIInChI=1S/C20H17FN4O2/c1-13(26)14-6-4-7-16(11-14)22-18-9-10-19(25-24-18)23-20(27)12-15-5-2-3-8-17(15)21/h2-11H,12H2,1H3,(H,22,24)(H,23,25,27)
InChIKeyIFJIMPWMNRWQCG-UHFFFAOYSA-N
XLogP3.74
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
CID 113047562
N-[6-(3-acetylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113049047
N-[6-(3-acetylanilino)pyridazin-3-yl]-3-fluorobenzamide
CID 113049056
6-(3-acetylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109156575
N-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
CID 113046519
N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
CID 113047929
N-[6-(3-acetamidoanilino)pyridazin-3-yl]-2-fluorobenzamide
CID 113049219
N-[6-(3-acetylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113049082
6-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide
CID 109119776
N-[6-(3-acetylanilino)pyridazin-3-yl]-4-tert-butylbenzamide
CID 113049064
N-[6-(2-cyanoanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
CID 113051142
N-(3-acetylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 9034829

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-acetylanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[6-(3-acetylanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide (CID 113049086) is N-[6-(3-acetylanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[6-(3-acetylanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[6-(3-acetylanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide is CC(=O)c1cccc(Nc2ccc(NC(=O)Cc3ccccc3F)nn2)c1.
What is the InChIKey of N-[6-(3-acetylanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide?
The InChIKey is IFJIMPWMNRWQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c1-13(26)14-6-4-7-16(11-14)22-18-9-10-19(25-24-18)23-20(27)12-15-5-2-3-8-17(15)21/h2-11H,12H2,1H3,(H,22,24)(H,23,25,27).
What are the key properties of N-[6-(3-acetylanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide?
N-[6-(3-acetylanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide has a molecular weight of 364.38 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-acetylanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 113049086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).