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

C22H22ClN3O3 — CID 92881183

IUPAC(2R)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3-ethylphenyl)propanamide
SMILESCCc1cccc(NC(=O)[C@@H](C)Oc2ccc(=O)n(-c3cc(Cl)ccc3C)n2)c1
InChIInChI=1S/C22H22ClN3O3/c1-4-16-6-5-7-18(12-16)24-22(28)15(3)29-20-10-11-21(27)26(25-20)19-13-17(23)9-8-14(19)2/h5-13,15H,4H2,1-3H3,(H,24,28)/t15-/m1/s1
InChIKeyLDYUFZJICJYJOJ-OAHLLOKOSA-N
MW411.89 g/mol
LogP4.16
Rot. Bonds6

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

(2R)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3-ethylphenyl)propanamide (PubChem CID 92881183) has the molecular formula C22H22ClN3O3 and a molecular weight of 411.89 g/mol. Its IUPAC name is (2R)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3-ethylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3-ethylphenyl)propanamide
PubChem CID92881183
Molecular FormulaC22H22ClN3O3
Molecular Weight411.89 g/mol
Exact Mass411.13
IUPAC Name(2R)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3-ethylphenyl)propanamide
SMILESCCc1cccc(NC(=O)[C@@H](C)Oc2ccc(=O)n(-c3cc(Cl)ccc3C)n2)c1
InChIInChI=1S/C22H22ClN3O3/c1-4-16-6-5-7-18(12-16)24-22(28)15(3)29-20-10-11-21(27)26(25-20)19-13-17(23)9-8-14(19)2/h5-13,15H,4H2,1-3H3,(H,24,28)/t15-/m1/s1
InChIKeyLDYUFZJICJYJOJ-OAHLLOKOSA-N
XLogP4.16
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 53106944
(2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(2-methylphenyl)propanamide
CID 92881156
(2R)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(2,5-dimethylphenyl)propanamide
CID 92881157
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-cyclohexylpropanamide
CID 92881198
(2R)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3,4-dimethoxyphenyl)butanamide
CID 92881079
(2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide
CID 92881204
(2R)-2-(2,4-dichlorophenoxy)-N-(3-ethylphenyl)propanamide
CID 874427
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-methoxyphenyl)methyl]butanamide
CID 46381669
(2R)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 92880947
N-(3-chloro-4-methylphenyl)-2-(3-ethylphenoxy)propanamide
CID 53267219

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3-ethylphenyl)propanamide?
The IUPAC name of (2R)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3-ethylphenyl)propanamide (CID 92881183) is (2R)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3-ethylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3-ethylphenyl)propanamide?
The canonical SMILES for (2R)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3-ethylphenyl)propanamide is CCc1cccc(NC(=O)[C@@H](C)Oc2ccc(=O)n(-c3cc(Cl)ccc3C)n2)c1.
What is the InChIKey of (2R)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3-ethylphenyl)propanamide?
The InChIKey is LDYUFZJICJYJOJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H22ClN3O3/c1-4-16-6-5-7-18(12-16)24-22(28)15(3)29-20-10-11-21(27)26(25-20)19-13-17(23)9-8-14(19)2/h5-13,15H,4H2,1-3H3,(H,24,28)/t15-/m1/s1.
What are the key properties of (2R)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3-ethylphenyl)propanamide?
(2R)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3-ethylphenyl)propanamide has a molecular weight of 411.89 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3-ethylphenyl)propanamide is sourced from PubChem (CID 92881183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).