N-(4-acetylphenyl)-2-(5-chloro-6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide

C18H19ClN4O3 — CID 56922637

IUPACN-(4-acetylphenyl)-2-(5-chloro-6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)Cn2ncc(N3CCCC3)c(Cl)c2=O)cc1
InChIInChI=1S/C18H19ClN4O3/c1-12(24)13-4-6-14(7-5-13)21-16(25)11-23-18(26)17(19)15(10-20-23)22-8-2-3-9-22/h4-7,10H,2-3,8-9,11H2,1H3,(H,21,25)
InChIKeyBONWJAKADGNFGI-UHFFFAOYSA-N
MW374.83 g/mol
LogP2.34
Rot. Bonds5

About N-(4-acetylphenyl)-2-(5-chloro-6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide

N-(4-acetylphenyl)-2-(5-chloro-6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide (PubChem CID 56922637) has the molecular formula C18H19ClN4O3 and a molecular weight of 374.83 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(5-chloro-6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(5-chloro-6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide
PubChem CID56922637
Molecular FormulaC18H19ClN4O3
Molecular Weight374.83 g/mol
Exact Mass374.11
IUPAC NameN-(4-acetylphenyl)-2-(5-chloro-6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)Cn2ncc(N3CCCC3)c(Cl)c2=O)cc1
InChIInChI=1S/C18H19ClN4O3/c1-12(24)13-4-6-14(7-5-13)21-16(25)11-23-18(26)17(19)15(10-20-23)22-8-2-3-9-22/h4-7,10H,2-3,8-9,11H2,1H3,(H,21,25)
InChIKeyBONWJAKADGNFGI-UHFFFAOYSA-N
XLogP2.34
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108956184
N-(3-acetamidophenyl)-2-[4-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]piperazin-1-yl]acetamide
CID 172905745
N-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]acetamide
CID 2539129
N-(4-acetylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833566
2-benzyl-4-chloro-5-pyrrolidin-1-ylpyridazin-3-one
CID 779667
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2086642
(2R)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(4-fluorophenyl)propanamide
CID 95706060
N-(4-acetylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110409479
1-[2-(4-acetylanilino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502529
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 2106745
N-(4-acetylphenyl)-2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide
CID 19526729
N-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]-3-methylbutanamide
CID 8862363

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(5-chloro-6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(5-chloro-6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide (CID 56922637) is N-(4-acetylphenyl)-2-(5-chloro-6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(5-chloro-6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(5-chloro-6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide is CC(=O)c1ccc(NC(=O)Cn2ncc(N3CCCC3)c(Cl)c2=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(5-chloro-6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide?
The InChIKey is BONWJAKADGNFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3/c1-12(24)13-4-6-14(7-5-13)21-16(25)11-23-18(26)17(19)15(10-20-23)22-8-2-3-9-22/h4-7,10H,2-3,8-9,11H2,1H3,(H,21,25).
What are the key properties of N-(4-acetylphenyl)-2-(5-chloro-6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide?
N-(4-acetylphenyl)-2-(5-chloro-6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide has a molecular weight of 374.83 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(5-chloro-6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 56922637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).