2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide

C17H17Cl2N3O2 — CID 30914150

IUPAC2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)NCC1(c2ccccc2)CCC1
InChIInChI=1S/C17H17Cl2N3O2/c18-13-9-21-22(16(24)15(13)19)10-14(23)20-11-17(7-4-8-17)12-5-2-1-3-6-12/h1-3,5-6,9H,4,7-8,10-11H2,(H,20,23)
InChIKeyUIPITSGUYPKCNJ-UHFFFAOYSA-N
MW366.25 g/mol
LogP2.79
Rot. Bonds5

About 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide (PubChem CID 30914150) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide
PubChem CID30914150
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)NCC1(c2ccccc2)CCC1
InChIInChI=1S/C17H17Cl2N3O2/c18-13-9-21-22(16(24)15(13)19)10-14(23)20-11-17(7-4-8-17)12-5-2-1-3-6-12/h1-3,5-6,9H,4,7-8,10-11H2,(H,20,23)
InChIKeyUIPITSGUYPKCNJ-UHFFFAOYSA-N
XLogP2.79
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 2701052
N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 44667750
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 30231157
N-[(1-phenylcyclopentyl)methyl]-2-piperidin-1-ylacetamide chloride
CID 53347611
3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110460227
2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 98340577
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-phenylcycloheptyl)methyl]acetamide
CID 99803682
2-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 42408512
2-(1,3-dioxoisoindol-2-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 41288066
2-(2-chloro-6-fluorophenyl)-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 18139443
2-chloro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 847347
N-(1-adamantyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 4811965

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide?
The IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide (CID 30914150) is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide is O=C(Cn1ncc(Cl)c(Cl)c1=O)NCC1(c2ccccc2)CCC1.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide?
The InChIKey is UIPITSGUYPKCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c18-13-9-21-22(16(24)15(13)19)10-14(23)20-11-17(7-4-8-17)12-5-2-1-3-6-12/h1-3,5-6,9H,4,7-8,10-11H2,(H,20,23).
What are the key properties of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide?
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide has a molecular weight of 366.25 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide is sourced from PubChem (CID 30914150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).