N-(2-chlorophenyl)-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide

C22H22ClN3O3 — CID 16885560

IUPACN-(2-chlorophenyl)-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
SMILESCCOc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccccc3Cl)n2)cc1
InChIInChI=1S/C22H22ClN3O3/c1-2-29-17-11-9-16(10-12-17)19-13-14-22(28)26(25-19)15-5-8-21(27)24-20-7-4-3-6-18(20)23/h3-4,6-7,9-14H,2,5,8,15H2,1H3,(H,24,27)
InChIKeyOWMGYVCTRVQVMA-UHFFFAOYSA-N
MW411.89 g/mol
LogP4.38
Rot. Bonds8

About N-(2-chlorophenyl)-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide

N-(2-chlorophenyl)-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide (PubChem CID 16885560) has the molecular formula C22H22ClN3O3 and a molecular weight of 411.89 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
PubChem CID16885560
Molecular FormulaC22H22ClN3O3
Molecular Weight411.89 g/mol
Exact Mass411.13
IUPAC NameN-(2-chlorophenyl)-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
SMILESCCOc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccccc3Cl)n2)cc1
InChIInChI=1S/C22H22ClN3O3/c1-2-29-17-11-9-16(10-12-17)19-13-14-22(28)26(25-19)15-5-8-21(27)24-20-7-4-3-6-18(20)23/h3-4,6-7,9-14H,2,5,8,15H2,1H3,(H,24,27)
InChIKeyOWMGYVCTRVQVMA-UHFFFAOYSA-N
XLogP4.38
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
The IUPAC name of N-(2-chlorophenyl)-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide (CID 16885560) is N-(2-chlorophenyl)-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
The canonical SMILES for N-(2-chlorophenyl)-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide is CCOc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccccc3Cl)n2)cc1.
What is the InChIKey of N-(2-chlorophenyl)-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
The InChIKey is OWMGYVCTRVQVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3/c1-2-29-17-11-9-16(10-12-17)19-13-14-22(28)26(25-19)15-5-8-21(27)24-20-7-4-3-6-18(20)23/h3-4,6-7,9-14H,2,5,8,15H2,1H3,(H,24,27).
What are the key properties of N-(2-chlorophenyl)-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
N-(2-chlorophenyl)-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide has a molecular weight of 411.89 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide is sourced from PubChem (CID 16885560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).