3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)propanamide

C21H20ClN3O2 — CID 3611297

IUPAC3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)propanamide
SMILESO=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)NCCc1ccccc1
InChIInChI=1S/C21H20ClN3O2/c22-18-8-6-17(7-9-18)19-10-11-21(27)25(24-19)15-13-20(26)23-14-12-16-4-2-1-3-5-16/h1-11H,12-15H2,(H,23,26)
InChIKeyGIAVRLNCXXZEAL-UHFFFAOYSA-N
MW381.86 g/mol
LogP3.31
Rot. Bonds7

About 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)propanamide

3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)propanamide (PubChem CID 3611297) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)propanamide
PubChem CID3611297
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)propanamide
SMILESO=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)NCCc1ccccc1
InChIInChI=1S/C21H20ClN3O2/c22-18-8-6-17(7-9-18)19-10-11-21(27)25(24-19)15-13-20(26)23-14-12-16-4-2-1-3-5-16/h1-11H,12-15H2,(H,23,26)
InChIKeyGIAVRLNCXXZEAL-UHFFFAOYSA-N
XLogP3.31
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)propanamide (CID 3611297) is 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)propanamide is O=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)NCCc1ccccc1.
What is the InChIKey of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)propanamide?
The InChIKey is GIAVRLNCXXZEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c22-18-8-6-17(7-9-18)19-10-11-21(27)25(24-19)15-13-20(26)23-14-12-16-4-2-1-3-5-16/h1-11H,12-15H2,(H,23,26).
What are the key properties of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)propanamide?
3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)propanamide has a molecular weight of 381.86 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 3611297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).