N-[2-(4-chlorophenyl)ethyl]-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide

C20H17Cl2N3O2 — CID 15997940

IUPACN-[2-(4-chlorophenyl)ethyl]-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C20H17Cl2N3O2/c21-16-5-1-14(2-6-16)11-12-23-19(26)13-25-20(27)10-9-18(24-25)15-3-7-17(22)8-4-15/h1-10H,11-13H2,(H,23,26)
InChIKeyUWZOJSFHTKFQFA-UHFFFAOYSA-N
MW402.28 g/mol
LogP3.58
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide

N-[2-(4-chlorophenyl)ethyl]-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 15997940) has the molecular formula C20H17Cl2N3O2 and a molecular weight of 402.28 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID15997940
Molecular FormulaC20H17Cl2N3O2
Molecular Weight402.28 g/mol
Exact Mass401.07
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C20H17Cl2N3O2/c21-16-5-1-14(2-6-16)11-12-23-19(26)13-25-20(27)10-9-18(24-25)15-3-7-17(22)8-4-15/h1-10H,11-13H2,(H,23,26)
InChIKeyUWZOJSFHTKFQFA-UHFFFAOYSA-N
XLogP3.58
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.28
LogP ≤ 53.58
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
2-(6-oxo-3-(p-tolyl)pyridazin-1(6H)-yl)-N-phenethylacetamide
CID 5070704
5-chloro-2-(4-chlorobenzyl)-6-phenyl-3(2H)-pyridazinone
CID 1472475
N-(4-fluorobenzyl)-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3295263
N-butyl-2-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-methylacetamide
CID 4422323
N-[2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide
CID 5904279
N-[2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide
CID 6375481
2-[3-(4-chlorophenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]-N-(3-methylbutyl)acetamide
CID 16034816
N-(2-methylcyclohexyl)-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3238833
N-[3-(azepan-1-yl)propyl]-3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanamide
CID 3240872
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 3665845
3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-[3-(diethylamino)propyl]propanamide
CID 5046060

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide (CID 15997940) is N-[2-(4-chlorophenyl)ethyl]-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide is O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is UWZOJSFHTKFQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O2/c21-16-5-1-14(2-6-16)11-12-23-19(26)13-25-20(27)10-9-18(24-25)15-3-7-17(22)8-4-15/h1-10H,11-13H2,(H,23,26).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 402.28 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 15997940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).