N-(3-chloro-2-methylphenyl)-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide

C22H22ClN3O2 — CID 50744781

IUPACN-(3-chloro-2-methylphenyl)-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide
SMILESCc1ccc(-c2ccc(=O)n(C(C)C(=O)Nc3cccc(Cl)c3C)n2)cc1C
InChIInChI=1S/C22H22ClN3O2/c1-13-8-9-17(12-14(13)2)20-10-11-21(27)26(25-20)16(4)22(28)24-19-7-5-6-18(23)15(19)3/h5-12,16H,1-4H3,(H,24,28)
InChIKeyNRHNHMJRLPZITI-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.69
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide

N-(3-chloro-2-methylphenyl)-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide (PubChem CID 50744781) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide
PubChem CID50744781
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide
SMILESCc1ccc(-c2ccc(=O)n(C(C)C(=O)Nc3cccc(Cl)c3C)n2)cc1C
InChIInChI=1S/C22H22ClN3O2/c1-13-8-9-17(12-14(13)2)20-10-11-21(27)26(25-20)16(4)22(28)24-19-7-5-6-18(23)15(19)3/h5-12,16H,1-4H3,(H,24,28)
InChIKeyNRHNHMJRLPZITI-UHFFFAOYSA-N
XLogP4.69
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 50744778
(2R)-N-(2-chloro-6-methylphenyl)-2-[3-[4-methyl-3-(propanoylamino)phenyl]-6-oxopyridazin-1-yl]propanamide
CID 27261745
(2S)-N-(3-chloro-2-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 51868316
(2S)-N-(2-methylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 92735308
(2S)-2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 27245360
N-(3-chloro-2-methylphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]sulfanylpropanamide
CID 46383694
N-(3,4-dimethylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide
CID 142338864
(2R)-2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3-chloro-4-methoxyphenyl)propanamide
CID 27243865
N-(2,6-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 25249782
(2S)-N-(5-chloro-2,4-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 28623367
N-(3-chloro-2-methylphenyl)-2-(4-chloro-5-methylpyrazol-1-yl)propanamide
CID 19533587
2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2,4-difluorophenyl)propanamide
CID 56921831

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide (CID 50744781) is N-(3-chloro-2-methylphenyl)-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide is Cc1ccc(-c2ccc(=O)n(C(C)C(=O)Nc3cccc(Cl)c3C)n2)cc1C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide?
The InChIKey is NRHNHMJRLPZITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-13-8-9-17(12-14(13)2)20-10-11-21(27)26(25-20)16(4)22(28)24-19-7-5-6-18(23)15(19)3/h5-12,16H,1-4H3,(H,24,28).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide?
N-(3-chloro-2-methylphenyl)-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide has a molecular weight of 395.89 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 50744781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).