(2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(2-methylphenyl)propanamide

C21H20ClN3O3 — CID 92881156

IUPAC(2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)[C@H](C)Oc1ccc(=O)n(-c2cc(Cl)ccc2C)n1
InChIInChI=1S/C21H20ClN3O3/c1-13-6-4-5-7-17(13)23-21(27)15(3)28-19-10-11-20(26)25(24-19)18-12-16(22)9-8-14(18)2/h4-12,15H,1-3H3,(H,23,27)/t15-/m0/s1
InChIKeyAKXHYCBYPBRJJM-HNNXBMFYSA-N
MW397.86 g/mol
LogP3.91
Rot. Bonds5

About (2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(2-methylphenyl)propanamide

(2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(2-methylphenyl)propanamide (PubChem CID 92881156) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is (2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(2-methylphenyl)propanamide
PubChem CID92881156
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name(2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)[C@H](C)Oc1ccc(=O)n(-c2cc(Cl)ccc2C)n1
InChIInChI=1S/C21H20ClN3O3/c1-13-6-4-5-7-17(13)23-21(27)15(3)28-19-10-11-20(26)25(24-19)18-12-16(22)9-8-14(18)2/h4-12,15H,1-3H3,(H,23,27)/t15-/m0/s1
InChIKeyAKXHYCBYPBRJJM-HNNXBMFYSA-N
XLogP3.91
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(2,5-dimethylphenyl)propanamide
CID 92881157
N-(4-acetylphenyl)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 53106944
(2R)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3-ethylphenyl)propanamide
CID 92881183
(2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-cyclohexylpropanamide
CID 92881198
2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(2-ethoxyphenyl)butanamide
CID 46381681
2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 46381733
(2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide
CID 92881204
N-(2-chloro-4-methylphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 46381627
N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 46381491
2-(3,5-dichlorophenoxy)-N-(2-methylphenyl)propanamide
CID 112778065
(2R)-N-(2,3-dimethylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 92880865
N-(2,5-dimethylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 46381499

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(2-methylphenyl)propanamide?
The IUPAC name of (2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(2-methylphenyl)propanamide (CID 92881156) is (2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(2-methylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(2-methylphenyl)propanamide?
The canonical SMILES for (2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(2-methylphenyl)propanamide is Cc1ccccc1NC(=O)[C@H](C)Oc1ccc(=O)n(-c2cc(Cl)ccc2C)n1.
What is the InChIKey of (2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(2-methylphenyl)propanamide?
The InChIKey is AKXHYCBYPBRJJM-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-13-6-4-5-7-17(13)23-21(27)15(3)28-19-10-11-20(26)25(24-19)18-12-16(22)9-8-14(18)2/h4-12,15H,1-3H3,(H,23,27)/t15-/m0/s1.
What are the key properties of (2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(2-methylphenyl)propanamide?
(2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(2-methylphenyl)propanamide has a molecular weight of 397.86 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 92881156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).