2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1H-indol-4-yl)acetamide

C20H15ClN4O2 — CID 56762930

IUPAC2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1H-indol-4-yl)acetamide
SMILESO=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)Nc1cccc2[nH]ccc12
InChIInChI=1S/C20H15ClN4O2/c21-14-6-4-13(5-7-14)16-8-9-20(27)25(24-16)12-19(26)23-18-3-1-2-17-15(18)10-11-22-17/h1-11,22H,12H2,(H,23,26)
InChIKeyCBRWSILSMLZLEG-UHFFFAOYSA-N
MW378.82 g/mol
LogP3.68
Rot. Bonds4

About 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1H-indol-4-yl)acetamide

2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1H-indol-4-yl)acetamide (PubChem CID 56762930) has the molecular formula C20H15ClN4O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1H-indol-4-yl)acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1H-indol-4-yl)acetamide
PubChem CID56762930
Molecular FormulaC20H15ClN4O2
Molecular Weight378.82 g/mol
Exact Mass378.09
IUPAC Name2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1H-indol-4-yl)acetamide
SMILESO=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)Nc1cccc2[nH]ccc12
InChIInChI=1S/C20H15ClN4O2/c21-14-6-4-13(5-7-14)16-8-9-20(27)25(24-16)12-19(26)23-18-3-1-2-17-15(18)10-11-22-17/h1-11,22H,12H2,(H,23,26)
InChIKeyCBRWSILSMLZLEG-UHFFFAOYSA-N
XLogP3.68
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide
CID 7659865
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylphenyl)acetamide
CID 3224557
N-(1H-benzimidazol-2-yl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 51044493
N-(4-acetamidophenyl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 7659832
N-(2,3-dichlorophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052763
N-(2,5-dichlorophenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 7659702
N-naphthalen-1-yl-2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetamide
CID 8699032
N-(2,5-difluorophenyl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 46858972
4-chloro-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]-N-propan-2-ylbenzamide
CID 55877331
N-(2-bromophenyl)-2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 3224565
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 7659841
N-(4-chlorophenyl)-2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7663387

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1H-indol-4-yl)acetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1H-indol-4-yl)acetamide (CID 56762930) is 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1H-indol-4-yl)acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1H-indol-4-yl)acetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1H-indol-4-yl)acetamide is O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)Nc1cccc2[nH]ccc12.
What is the InChIKey of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1H-indol-4-yl)acetamide?
The InChIKey is CBRWSILSMLZLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2/c21-14-6-4-13(5-7-14)16-8-9-20(27)25(24-16)12-19(26)23-18-3-1-2-17-15(18)10-11-22-17/h1-11,22H,12H2,(H,23,26).
What are the key properties of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1H-indol-4-yl)acetamide?
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1H-indol-4-yl)acetamide has a molecular weight of 378.82 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1H-indol-4-yl)acetamide is sourced from PubChem (CID 56762930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).