N-[6-(N-acetylanilino)pyridazin-4-yl]-2-(2-chlorophenyl)acetamide

C20H17ClN4O2 — CID 162428208

IUPACN-[6-(N-acetylanilino)pyridazin-4-yl]-2-(2-chlorophenyl)acetamide
SMILESCC(=O)N(c1ccccc1)c1cc(NC(=O)Cc2ccccc2Cl)cnn1
InChIInChI=1S/C20H17ClN4O2/c1-14(26)25(17-8-3-2-4-9-17)19-12-16(13-22-24-19)23-20(27)11-15-7-5-6-10-18(15)21/h2-10,12-13H,11H2,1H3,(H,23,24,27)
InChIKeyYDNBPZGTYVIALT-UHFFFAOYSA-N
MW380.84 g/mol
LogP4.00
Rot. Bonds5

About N-[6-(N-acetylanilino)pyridazin-4-yl]-2-(2-chlorophenyl)acetamide

N-[6-(N-acetylanilino)pyridazin-4-yl]-2-(2-chlorophenyl)acetamide (PubChem CID 162428208) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is N-[6-(N-acetylanilino)pyridazin-4-yl]-2-(2-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[6-(N-acetylanilino)pyridazin-4-yl]-2-(2-chlorophenyl)acetamide
PubChem CID162428208
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC NameN-[6-(N-acetylanilino)pyridazin-4-yl]-2-(2-chlorophenyl)acetamide
SMILESCC(=O)N(c1ccccc1)c1cc(NC(=O)Cc2ccccc2Cl)cnn1
InChIInChI=1S/C20H17ClN4O2/c1-14(26)25(17-8-3-2-4-9-17)19-12-16(13-22-24-19)23-20(27)11-15-7-5-6-10-18(15)21/h2-10,12-13H,11H2,1H3,(H,23,24,27)
InChIKeyYDNBPZGTYVIALT-UHFFFAOYSA-N
XLogP4.00
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(N-acetylanilino)pyridazin-4-yl]-2-(2-chlorophenyl)acetamide?
The IUPAC name of N-[6-(N-acetylanilino)pyridazin-4-yl]-2-(2-chlorophenyl)acetamide (CID 162428208) is N-[6-(N-acetylanilino)pyridazin-4-yl]-2-(2-chlorophenyl)acetamide.
What is the SMILES notation for N-[6-(N-acetylanilino)pyridazin-4-yl]-2-(2-chlorophenyl)acetamide?
The canonical SMILES for N-[6-(N-acetylanilino)pyridazin-4-yl]-2-(2-chlorophenyl)acetamide is CC(=O)N(c1ccccc1)c1cc(NC(=O)Cc2ccccc2Cl)cnn1.
What is the InChIKey of N-[6-(N-acetylanilino)pyridazin-4-yl]-2-(2-chlorophenyl)acetamide?
The InChIKey is YDNBPZGTYVIALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c1-14(26)25(17-8-3-2-4-9-17)19-12-16(13-22-24-19)23-20(27)11-15-7-5-6-10-18(15)21/h2-10,12-13H,11H2,1H3,(H,23,24,27).
What are the key properties of N-[6-(N-acetylanilino)pyridazin-4-yl]-2-(2-chlorophenyl)acetamide?
N-[6-(N-acetylanilino)pyridazin-4-yl]-2-(2-chlorophenyl)acetamide has a molecular weight of 380.84 g/mol, XLogP of 4.00, 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-chlorophenyl)acetamide is sourced from PubChem (CID 162428208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).