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

C21H20ClN3O2 — CID 5046315

IUPAC3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O)c1ccccc1
InChIInChI=1S/C21H20ClN3O2/c1-15(16-5-3-2-4-6-16)23-20(26)13-14-25-21(27)12-11-19(24-25)17-7-9-18(22)10-8-17/h2-12,15H,13-14H2,1H3,(H,23,26)
InChIKeyBMRSXHXOMHQGPN-UHFFFAOYSA-N
MW381.86 g/mol
LogP3.83
Rot. Bonds6

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

3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)propanamide (PubChem CID 5046315) 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-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)propanamide
PubChem CID5046315
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O)c1ccccc1
InChIInChI=1S/C21H20ClN3O2/c1-15(16-5-3-2-4-6-16)23-20(26)13-14-25-21(27)12-11-19(24-25)17-7-9-18(22)10-8-17/h2-12,15H,13-14H2,1H3,(H,23,26)
InChIKeyBMRSXHXOMHQGPN-UHFFFAOYSA-N
XLogP3.83
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-Oxo-3-phenylpyridazin-1(6H)-yl)-N-(1-phenylethyl)ethanimidic acid
CID 5053474
1-benzoyl-5-(4-chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole
CID 4685291
N-benzyl-3-[3-(4-fluorophenyl)-6-oxo-1(6H)-pyridazinyl]propanamide
CID 2810676
Desmethylazelastine
CID 162558
5-chloro-2-(4-chlorobenzyl)-6-phenyl-3(2H)-pyridazinone
CID 1472475
2-(2-chloro-4-fluorobenzyl)-6-phenylpyridazin-3(2H)-one
CID 16014547
[3-(4-chlorophenyl)-5,6-dihydro-1(4H)-pyridazinyl](4-methylphenyl)methanone
CID 1486796
[3-(4-chlorophenyl)-5,6-dihydro-1(4H)-pyridazinyl](phenyl)methanone
CID 1488624
(4-chlorophenyl)[3-phenyl-5,6-dihydro-1(4H)-pyridazinyl]methanone
CID 1484237
3-[4-(4-Chlorophenyl)-1-oxophthalazin-2-yl]propanamide
CID 2196909
3-(4-chlorophenyl)-5-phenyl-1-propionyl-4,5-dihydro-1H-pyrazole
CID 2958497
N-[3-(azepan-1-yl)propyl]-3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanamide
CID 3240872

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)propanamide (CID 5046315) is 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)propanamide is CC(NC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O)c1ccccc1.
What is the InChIKey of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)propanamide?
The InChIKey is BMRSXHXOMHQGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-15(16-5-3-2-4-6-16)23-20(26)13-14-25-21(27)12-11-19(24-25)17-7-9-18(22)10-8-17/h2-12,15H,13-14H2,1H3,(H,23,26).
What are the key properties of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)propanamide?
3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)propanamide has a molecular weight of 381.86 g/mol, XLogP of 3.83, 6 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-(1-phenylethyl)propanamide is sourced from PubChem (CID 5046315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).