2-iodo-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide

C14H14IN3O2 — CID 121058925

IUPAC2-iodo-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide
SMILESCc1ccc(=O)n(CCNC(=O)c2ccccc2I)n1
InChIInChI=1S/C14H14IN3O2/c1-10-6-7-13(19)18(17-10)9-8-16-14(20)11-4-2-3-5-12(11)15/h2-7H,8-9H2,1H3,(H,16,20)
InChIKeyKEIRBAZTALOUON-UHFFFAOYSA-N
MW383.19 g/mol
LogP1.59
Rot. Bonds4

About 2-iodo-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide

2-iodo-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide (PubChem CID 121058925) has the molecular formula C14H14IN3O2 and a molecular weight of 383.19 g/mol. Its IUPAC name is 2-iodo-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide
PubChem CID121058925
Molecular FormulaC14H14IN3O2
Molecular Weight383.19 g/mol
Exact Mass383.01
IUPAC Name2-iodo-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide
SMILESCc1ccc(=O)n(CCNC(=O)c2ccccc2I)n1
InChIInChI=1S/C14H14IN3O2/c1-10-6-7-13(19)18(17-10)9-8-16-14(20)11-4-2-3-5-12(11)15/h2-7H,8-9H2,1H3,(H,16,20)
InChIKeyKEIRBAZTALOUON-UHFFFAOYSA-N
XLogP1.59
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.19
LogP ≤ 51.59
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

2-(4-methylbenzoyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide
CID 121058915
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-nitrobenzamide
CID 121058935
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-iodobenzamide
CID 18569757
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-iodobenzamide
CID 41241252
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 121059030
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]furan-2-carboxamide
CID 121059019
2-(3-methyl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121033306
5-chloro-2-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide
CID 121058895
3,4-difluoro-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide
CID 121058993
2-chloro-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-5-nitrobenzamide
CID 121058927
2-(4-bromophenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide
CID 121058930
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-3,5-dinitrobenzamide
CID 121059074

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide?
The IUPAC name of 2-iodo-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide (CID 121058925) is 2-iodo-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-iodo-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide?
The canonical SMILES for 2-iodo-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide is Cc1ccc(=O)n(CCNC(=O)c2ccccc2I)n1.
What is the InChIKey of 2-iodo-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide?
The InChIKey is KEIRBAZTALOUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14IN3O2/c1-10-6-7-13(19)18(17-10)9-8-16-14(20)11-4-2-3-5-12(11)15/h2-7H,8-9H2,1H3,(H,16,20).
What are the key properties of 2-iodo-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide?
2-iodo-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide has a molecular weight of 383.19 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 121058925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).