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

C20H16ClFN4O2 — CID 162428219

IUPACN-[6-(N-acetylanilino)pyridazin-4-yl]-2-(2-chloro-3-fluorophenyl)acetamide
SMILESCC(=O)N(c1ccccc1)c1cc(NC(=O)Cc2cccc(F)c2Cl)cnn1
InChIInChI=1S/C20H16ClFN4O2/c1-13(27)26(16-7-3-2-4-8-16)18-11-15(12-23-25-18)24-19(28)10-14-6-5-9-17(22)20(14)21/h2-9,11-12H,10H2,1H3,(H,24,25,28)
InChIKeyHERBEBRLBTZHHC-UHFFFAOYSA-N
MW398.83 g/mol
LogP4.13
Rot. Bonds5

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

N-[6-(N-acetylanilino)pyridazin-4-yl]-2-(2-chloro-3-fluorophenyl)acetamide (PubChem CID 162428219) has the molecular formula C20H16ClFN4O2 and a molecular weight of 398.83 g/mol. Its IUPAC name is N-[6-(N-acetylanilino)pyridazin-4-yl]-2-(2-chloro-3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[6-(N-acetylanilino)pyridazin-4-yl]-2-(2-chloro-3-fluorophenyl)acetamide
PubChem CID162428219
Molecular FormulaC20H16ClFN4O2
Molecular Weight398.83 g/mol
Exact Mass398.09
IUPAC NameN-[6-(N-acetylanilino)pyridazin-4-yl]-2-(2-chloro-3-fluorophenyl)acetamide
SMILESCC(=O)N(c1ccccc1)c1cc(NC(=O)Cc2cccc(F)c2Cl)cnn1
InChIInChI=1S/C20H16ClFN4O2/c1-13(27)26(16-7-3-2-4-8-16)18-11-15(12-23-25-18)24-19(28)10-14-6-5-9-17(22)20(14)21/h2-9,11-12H,10H2,1H3,(H,24,25,28)
InChIKeyHERBEBRLBTZHHC-UHFFFAOYSA-N
XLogP4.13
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.83
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[acetyl-(5-fluoro-2-methyl-4-pyridinyl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide
CID 162746501
N-[2-[acetyl-(2-methylbenzotriazol-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide
CID 162746556
2-(2-chloro-3-fluorophenyl)-N-[6-(3-fluoroanilino)pyridazin-4-yl]acetamide
CID 162428180
N-[2-[acetyl(1,3-dihydro-2-benzofuran-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide
CID 162746490
2-(2-chloro-3-fluorophenyl)-N-pyridin-4-ylacetamide
CID 166927626
N-[4-[[2-(2-chloro-3-fluorophenyl)acetyl]amino]-2-pyridinyl]-N-(2-fluoro-4-pyridinyl)propanamide
CID 162746743
N-[2-(N-acetyl-3-fluoroanilino)-4-pyridinyl]-2-(2-chloro-4-fluorophenyl)acetamide;N-[2-(N-acetyl-3-fluoroanilino)-4-pyridinyl]-2-(2-chlorophenyl)acetamide
CID 175417454
N-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 162746788
N-[2-(N-acetyl-4-fluoroanilino)-4-pyridinyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 162428244
N-[2-[acetyl(pyridin-4-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
CID 162746510
2-(2-chloro-4-fluorophenyl)-N-(6-chloropyridazin-4-yl)acetamide
CID 162428281
N-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3,4-difluorophenyl)acetamide
CID 162746509

Frequently Asked Questions

What is the IUPAC name of N-[6-(N-acetylanilino)pyridazin-4-yl]-2-(2-chloro-3-fluorophenyl)acetamide?
The IUPAC name of N-[6-(N-acetylanilino)pyridazin-4-yl]-2-(2-chloro-3-fluorophenyl)acetamide (CID 162428219) is N-[6-(N-acetylanilino)pyridazin-4-yl]-2-(2-chloro-3-fluorophenyl)acetamide.
What is the SMILES notation for N-[6-(N-acetylanilino)pyridazin-4-yl]-2-(2-chloro-3-fluorophenyl)acetamide?
The canonical SMILES for N-[6-(N-acetylanilino)pyridazin-4-yl]-2-(2-chloro-3-fluorophenyl)acetamide is CC(=O)N(c1ccccc1)c1cc(NC(=O)Cc2cccc(F)c2Cl)cnn1.
What is the InChIKey of N-[6-(N-acetylanilino)pyridazin-4-yl]-2-(2-chloro-3-fluorophenyl)acetamide?
The InChIKey is HERBEBRLBTZHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4O2/c1-13(27)26(16-7-3-2-4-8-16)18-11-15(12-23-25-18)24-19(28)10-14-6-5-9-17(22)20(14)21/h2-9,11-12H,10H2,1H3,(H,24,25,28).
What are the key properties of N-[6-(N-acetylanilino)pyridazin-4-yl]-2-(2-chloro-3-fluorophenyl)acetamide?
N-[6-(N-acetylanilino)pyridazin-4-yl]-2-(2-chloro-3-fluorophenyl)acetamide has a molecular weight of 398.83 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(N-acetylanilino)pyridazin-4-yl]-2-(2-chloro-3-fluorophenyl)acetamide is sourced from PubChem (CID 162428219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).