N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

C22H19ClN4O3 — CID 55874064

IUPACN-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1cc(N2CCCC2=O)ccc1Cl
InChIInChI=1S/C22H19ClN4O3/c23-17-9-8-16(26-12-4-7-21(26)29)13-19(17)24-20(28)14-27-22(30)11-10-18(25-27)15-5-2-1-3-6-15/h1-3,5-6,8-11,13H,4,7,12,14H2,(H,24,28)
InChIKeyAYPIBUJTSRLUJZ-UHFFFAOYSA-N
MW422.87 g/mol
LogP3.33
Rot. Bonds5

About N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 55874064) has the molecular formula C22H19ClN4O3 and a molecular weight of 422.87 g/mol. Its IUPAC name is N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
PubChem CID55874064
Molecular FormulaC22H19ClN4O3
Molecular Weight422.87 g/mol
Exact Mass422.11
IUPAC NameN-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1cc(N2CCCC2=O)ccc1Cl
InChIInChI=1S/C22H19ClN4O3/c23-17-9-8-16(26-12-4-7-21(26)29)13-19(17)24-20(28)14-27-22(30)11-10-18(25-27)15-5-2-1-3-6-15/h1-3,5-6,8-11,13H,4,7,12,14H2,(H,24,28)
InChIKeyAYPIBUJTSRLUJZ-UHFFFAOYSA-N
XLogP3.33
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.87
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dichlorophenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 7659702
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 55675925
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylphenyl)acetamide
CID 3224557
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 55675256
N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55874219
1-[2-(2-chloroanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxylic acid
CID 114696103
2-(6-oxo-3-phenylpyridazin-1-yl)-N-propan-2-ylacetamide
CID 5057313
N-[1-[2-chloro-5-(2-oxopyrrolidin-1-yl)anilino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55676128
3-[[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]propanoic acid
CID 122075641
2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3685474
N-(2-bromophenyl)-2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 3224565
2-chloro-N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide
CID 55675758

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 55874064) is N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is O=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1cc(N2CCCC2=O)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The InChIKey is AYPIBUJTSRLUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O3/c23-17-9-8-16(26-12-4-7-21(26)29)13-19(17)24-20(28)14-27-22(30)11-10-18(25-27)15-5-2-1-3-6-15/h1-3,5-6,8-11,13H,4,7,12,14H2,(H,24,28).
What are the key properties of N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 422.87 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 55874064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).