N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-iodobenzamide

C19H15ClIN3O2 — CID 18569757

IUPACN-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-iodobenzamide
SMILESO=C(NCCn1nc(-c2ccc(Cl)cc2)ccc1=O)c1ccccc1I
InChIInChI=1S/C19H15ClIN3O2/c20-14-7-5-13(6-8-14)17-9-10-18(25)24(23-17)12-11-22-19(26)15-3-1-2-4-16(15)21/h1-10H,11-12H2,(H,22,26)
InChIKeyXKOCVROYZUQMFN-UHFFFAOYSA-N
MW479.71 g/mol
LogP3.60
Rot. Bonds5

About N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-iodobenzamide

N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-iodobenzamide (PubChem CID 18569757) has the molecular formula C19H15ClIN3O2 and a molecular weight of 479.71 g/mol. Its IUPAC name is N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-iodobenzamide
PubChem CID18569757
Molecular FormulaC19H15ClIN3O2
Molecular Weight479.71 g/mol
Exact Mass478.99
IUPAC NameN-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-iodobenzamide
SMILESO=C(NCCn1nc(-c2ccc(Cl)cc2)ccc1=O)c1ccccc1I
InChIInChI=1S/C19H15ClIN3O2/c20-14-7-5-13(6-8-14)17-9-10-18(25)24(23-17)12-11-22-19(26)15-3-1-2-4-16(15)21/h1-10H,11-12H2,(H,22,26)
InChIKeyXKOCVROYZUQMFN-UHFFFAOYSA-N
XLogP3.60
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.71
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-iodobenzamide
CID 41241252
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-ethylbutanamide
CID 121059131
2-iodo-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide
CID 121058925
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121051682
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]quinoline-2-carboxamide
CID 18569760
2-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]pyridine-3-carboxamide
CID 41241044
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(1H-indol-3-yl)acetamide
CID 121059174
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-fluorobenzamide
CID 41241135
N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-phenoxybenzamide
CID 121033316
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-3,4,5-trimethoxybenzamide
CID 18569716
2,4-dichloro-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]benzamide
CID 41241199
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-4,5-dimethoxy-2-nitrobenzamide
CID 41241068

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-iodobenzamide?
The IUPAC name of N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-iodobenzamide (CID 18569757) is N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-iodobenzamide.
What is the SMILES notation for N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-iodobenzamide?
The canonical SMILES for N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-iodobenzamide is O=C(NCCn1nc(-c2ccc(Cl)cc2)ccc1=O)c1ccccc1I.
What is the InChIKey of N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-iodobenzamide?
The InChIKey is XKOCVROYZUQMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClIN3O2/c20-14-7-5-13(6-8-14)17-9-10-18(25)24(23-17)12-11-22-19(26)15-3-1-2-4-16(15)21/h1-10H,11-12H2,(H,22,26).
What are the key properties of N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-iodobenzamide?
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-iodobenzamide has a molecular weight of 479.71 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-iodobenzamide is sourced from PubChem (CID 18569757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).