5-chloro-2-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide

C15H16ClN3O3 — CID 121058895

IUPAC5-chloro-2-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCn1nc(C)ccc1=O
InChIInChI=1S/C15H16ClN3O3/c1-10-3-6-14(20)19(18-10)8-7-17-15(21)12-9-11(16)4-5-13(12)22-2/h3-6,9H,7-8H2,1-2H3,(H,17,21)
InChIKeyWJYLAKCWWPDJEN-UHFFFAOYSA-N
MW321.76 g/mol
LogP1.64
Rot. Bonds5

About 5-chloro-2-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide

5-chloro-2-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide (PubChem CID 121058895) has the molecular formula C15H16ClN3O3 and a molecular weight of 321.76 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide
PubChem CID121058895
Molecular FormulaC15H16ClN3O3
Molecular Weight321.76 g/mol
Exact Mass321.09
IUPAC Name5-chloro-2-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCn1nc(C)ccc1=O
InChIInChI=1S/C15H16ClN3O3/c1-10-3-6-14(20)19(18-10)8-7-17-15(21)12-9-11(16)4-5-13(12)22-2/h3-6,9H,7-8H2,1-2H3,(H,17,21)
InChIKeyWJYLAKCWWPDJEN-UHFFFAOYSA-N
XLogP1.64
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methoxy-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide
CID 19283230
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CID 91817029
5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62659575
3,4-difluoro-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide
CID 121058993
5-chloro-2-methoxy-N-[2-(2-oxopyrimidin-1-yl)ethyl]benzamide
CID 131703162
5-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 82994768
3-(3,4-dimethoxyphenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]prop-2-enamide
CID 91939092
2-iodo-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide
CID 121058925
5-chloro-N-[2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]ethyl]-2-methoxybenzamide
CID 98773806
5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 885064
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-methoxy-1-methyl-6-oxopyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide (CID 121058895) is 5-chloro-2-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide is COc1ccc(Cl)cc1C(=O)NCCn1nc(C)ccc1=O.
What is the InChIKey of 5-chloro-2-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide?
The InChIKey is WJYLAKCWWPDJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3/c1-10-3-6-14(20)19(18-10)8-7-17-15(21)12-9-11(16)4-5-13(12)22-2/h3-6,9H,7-8H2,1-2H3,(H,17,21).
What are the key properties of 5-chloro-2-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide?
5-chloro-2-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide has a molecular weight of 321.76 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 121058895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).