N-[2-(4-chlorophenyl)ethyl]-4-(6-oxo-3-pyrrolidin-1-ylpyridazin-1-yl)benzamide

C23H23ClN4O2 — CID 50832217

IUPACN-[2-(4-chlorophenyl)ethyl]-4-(6-oxo-3-pyrrolidin-1-ylpyridazin-1-yl)benzamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccc(-n2nc(N3CCCC3)ccc2=O)cc1
InChIInChI=1S/C23H23ClN4O2/c24-19-7-3-17(4-8-19)13-14-25-23(30)18-5-9-20(10-6-18)28-22(29)12-11-21(26-28)27-15-1-2-16-27/h3-12H,1-2,13-16H2,(H,25,30)
InChIKeyNRRGCUAFDCEEIU-UHFFFAOYSA-N
MW422.92 g/mol
LogP3.46
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-4-(6-oxo-3-pyrrolidin-1-ylpyridazin-1-yl)benzamide

N-[2-(4-chlorophenyl)ethyl]-4-(6-oxo-3-pyrrolidin-1-ylpyridazin-1-yl)benzamide (PubChem CID 50832217) has the molecular formula C23H23ClN4O2 and a molecular weight of 422.92 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-4-(6-oxo-3-pyrrolidin-1-ylpyridazin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-4-(6-oxo-3-pyrrolidin-1-ylpyridazin-1-yl)benzamide
PubChem CID50832217
Molecular FormulaC23H23ClN4O2
Molecular Weight422.92 g/mol
Exact Mass422.15
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-4-(6-oxo-3-pyrrolidin-1-ylpyridazin-1-yl)benzamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccc(-n2nc(N3CCCC3)ccc2=O)cc1
InChIInChI=1S/C23H23ClN4O2/c24-19-7-3-17(4-8-19)13-14-25-23(30)18-5-9-20(10-6-18)28-22(29)12-11-21(26-28)27-15-1-2-16-27/h3-12H,1-2,13-16H2,(H,25,30)
InChIKeyNRRGCUAFDCEEIU-UHFFFAOYSA-N
XLogP3.46
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-oxo-3-pyrrolidin-1-ylpyridazin-1-yl)-N-(2-phenylethyl)benzamide
CID 50832290
4-chloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 16889466
N-(5-chloro-2-pyridinyl)-4-(6-oxo-3-pyrrolidin-1-ylpyridazin-1-yl)benzamide
CID 50832154
N-[2-(4-chlorophenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94773934
2-(4-chlorophenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 16890076
N-[2-(4-chlorophenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 9403209
4-(4-chlorophenyl)-N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]benzamide
CID 11743571
5-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide
CID 109285779
N-[2-(4-piperidin-1-ylphenyl)ethyl]pyridine-4-carboxamide
CID 110404973
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-4-methylbenzamide
CID 16889356
4-[2-[[6-(azepan-1-yl)pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 119136838
N-[2-(4-chlorophenyl)ethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 4289503

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-(6-oxo-3-pyrrolidin-1-ylpyridazin-1-yl)benzamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-(6-oxo-3-pyrrolidin-1-ylpyridazin-1-yl)benzamide (CID 50832217) is N-[2-(4-chlorophenyl)ethyl]-4-(6-oxo-3-pyrrolidin-1-ylpyridazin-1-yl)benzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-4-(6-oxo-3-pyrrolidin-1-ylpyridazin-1-yl)benzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-4-(6-oxo-3-pyrrolidin-1-ylpyridazin-1-yl)benzamide is O=C(NCCc1ccc(Cl)cc1)c1ccc(-n2nc(N3CCCC3)ccc2=O)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-4-(6-oxo-3-pyrrolidin-1-ylpyridazin-1-yl)benzamide?
The InChIKey is NRRGCUAFDCEEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O2/c24-19-7-3-17(4-8-19)13-14-25-23(30)18-5-9-20(10-6-18)28-22(29)12-11-21(26-28)27-15-1-2-16-27/h3-12H,1-2,13-16H2,(H,25,30).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-4-(6-oxo-3-pyrrolidin-1-ylpyridazin-1-yl)benzamide?
N-[2-(4-chlorophenyl)ethyl]-4-(6-oxo-3-pyrrolidin-1-ylpyridazin-1-yl)benzamide has a molecular weight of 422.92 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-4-(6-oxo-3-pyrrolidin-1-ylpyridazin-1-yl)benzamide is sourced from PubChem (CID 50832217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).