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

C21H20ClN3O2 — CID 5099383

IUPACN-[2-(4-chlorophenyl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)NCCc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C21H20ClN3O2/c1-15-2-6-17(7-3-15)19-10-11-21(27)25(24-19)14-20(26)23-13-12-16-4-8-18(22)9-5-16/h2-11H,12-14H2,1H3,(H,23,26)
InChIKeyWCMWTTAFUDPTTQ-UHFFFAOYSA-N
MW381.86 g/mol
LogP3.23
Rot. Bonds6

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

N-[2-(4-chlorophenyl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 5099383) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID5099383
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)NCCc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C21H20ClN3O2/c1-15-2-6-17(7-3-15)19-10-11-21(27)25(24-19)14-20(26)23-13-12-16-4-8-18(22)9-5-16/h2-11H,12-14H2,1H3,(H,23,26)
InChIKeyWCMWTTAFUDPTTQ-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide (CID 5099383) is N-[2-(4-chlorophenyl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide is Cc1ccc(-c2ccc(=O)n(CC(=O)NCCc3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is WCMWTTAFUDPTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-15-2-6-17(7-3-15)19-10-11-21(27)25(24-19)14-20(26)23-13-12-16-4-8-18(22)9-5-16/h2-11H,12-14H2,1H3,(H,23,26).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 381.86 g/mol, XLogP of 3.23, 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-methylphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 5099383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).