N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide

C22H18Cl2N4O2 — CID 52902934

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C22H18Cl2N4O2/c23-16-3-1-14(2-4-16)19-7-8-22(30)28(27-19)13-21(29)25-10-9-15-12-26-20-6-5-17(24)11-18(15)20/h1-8,11-12,26H,9-10,13H2,(H,25,29)
InChIKeyIBJYUWHXFRRESO-UHFFFAOYSA-N
MW441.32 g/mol
LogP4.06
Rot. Bonds6

About N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 52902934) has the molecular formula C22H18Cl2N4O2 and a molecular weight of 441.32 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID52902934
Molecular FormulaC22H18Cl2N4O2
Molecular Weight441.32 g/mol
Exact Mass440.08
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C22H18Cl2N4O2/c23-16-3-1-14(2-4-16)19-7-8-22(30)28(27-19)13-21(29)25-10-9-15-12-26-20-6-5-17(24)11-18(15)20/h1-8,11-12,26H,9-10,13H2,(H,25,29)
InChIKeyIBJYUWHXFRRESO-UHFFFAOYSA-N
XLogP4.06
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.32
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 51049102
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[3-(4-methylsulfanylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 52898467
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 53368196
2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 121050894
N-[2-(1H-indol-3-yl)ethyl]-2-[3-(4-methylsulfanylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 52899053
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(1H-indol-3-yl)acetamide
CID 121059174
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121051682
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-propan-2-ylurea
CID 113083690
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 7659841
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 7659873
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1H-indol-4-yl)acetamide
CID 56762930
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 4974066

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide (CID 52902934) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide is O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NCCc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is IBJYUWHXFRRESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N4O2/c23-16-3-1-14(2-4-16)19-7-8-22(30)28(27-19)13-21(29)25-10-9-15-12-26-20-6-5-17(24)11-18(15)20/h1-8,11-12,26H,9-10,13H2,(H,25,29).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 441.32 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 52902934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).