N-(2-chlorophenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]butanamide

C22H22ClN3O2 — CID 46263010

IUPACN-(2-chlorophenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]butanamide
SMILESCCC(C(=O)Nc1ccccc1Cl)n1nc(-c2cc(C)ccc2C)ccc1=O
InChIInChI=1S/C22H22ClN3O2/c1-4-20(22(28)24-19-8-6-5-7-17(19)23)26-21(27)12-11-18(25-26)16-13-14(2)9-10-15(16)3/h5-13,20H,4H2,1-3H3,(H,24,28)
InChIKeyMTOJISWWTXPQDX-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.77
Rot. Bonds5

About N-(2-chlorophenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]butanamide

N-(2-chlorophenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]butanamide (PubChem CID 46263010) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]butanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]butanamide
PubChem CID46263010
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC NameN-(2-chlorophenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]butanamide
SMILESCCC(C(=O)Nc1ccccc1Cl)n1nc(-c2cc(C)ccc2C)ccc1=O
InChIInChI=1S/C22H22ClN3O2/c1-4-20(22(28)24-19-8-6-5-7-17(19)23)26-21(27)12-11-18(25-26)16-13-14(2)9-10-15(16)3/h5-13,20H,4H2,1-3H3,(H,24,28)
InChIKeyMTOJISWWTXPQDX-UHFFFAOYSA-N
XLogP4.77
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(3-ethylphenyl)butanamide
CID 25249810
methyl (2S)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]butanoate
CID 7672051
(2S)-N-(2,4-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 92735342
(2R)-N-(2,3-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 92735315
2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-(2-chlorophenyl)butanamide
CID 50813124
N-(2-chlorophenyl)-2-[5-(2-methylpropanoylamino)-6-oxo-3-phenylpyridazin-1-yl]butanamide
CID 50813191
N-(2-chloro-4-methylphenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 23609008
N-(2,3-dichlorophenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7672207
(2R)-N-(5-chloro-2-methoxyphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 40640795
N-(2,5-difluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 43883157
ethyl (2S)-2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]butanoate
CID 7665828
2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 7672092

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]butanamide?
The IUPAC name of N-(2-chlorophenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]butanamide (CID 46263010) is N-(2-chlorophenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]butanamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]butanamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]butanamide is CCC(C(=O)Nc1ccccc1Cl)n1nc(-c2cc(C)ccc2C)ccc1=O.
What is the InChIKey of N-(2-chlorophenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]butanamide?
The InChIKey is MTOJISWWTXPQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-4-20(22(28)24-19-8-6-5-7-17(19)23)26-21(27)12-11-18(25-26)16-13-14(2)9-10-15(16)3/h5-13,20H,4H2,1-3H3,(H,24,28).
What are the key properties of N-(2-chlorophenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]butanamide?
N-(2-chlorophenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]butanamide has a molecular weight of 395.89 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]butanamide is sourced from PubChem (CID 46263010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).