2-cyclooctyloxy-N-[4-(1,1-difluoroethyl)-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]acetamide

C19H27F2N3O3 — CID 171493375

IUPAC2-cyclooctyloxy-N-[4-(1,1-difluoroethyl)-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]acetamide
SMILESCC(F)(F)c1c2c(n[nH]c1=O)C(NC(=O)COC1CCCCCCC1)CC2
InChIInChI=1S/C19H27F2N3O3/c1-19(20,21)16-13-9-10-14(17(13)23-24-18(16)26)22-15(25)11-27-12-7-5-3-2-4-6-8-12/h12,14H,2-11H2,1H3,(H,22,25)(H,24,26)
InChIKeyYRNXNKVPRRPLQU-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.11
Rot. Bonds5

About 2-cyclooctyloxy-N-[4-(1,1-difluoroethyl)-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]acetamide

2-cyclooctyloxy-N-[4-(1,1-difluoroethyl)-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]acetamide (PubChem CID 171493375) has the molecular formula C19H27F2N3O3 and a molecular weight of 383.44 g/mol. Its IUPAC name is 2-cyclooctyloxy-N-[4-(1,1-difluoroethyl)-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]acetamide.

Molecular Properties

Compound Name2-cyclooctyloxy-N-[4-(1,1-difluoroethyl)-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]acetamide
PubChem CID171493375
Molecular FormulaC19H27F2N3O3
Molecular Weight383.44 g/mol
Exact Mass383.20
IUPAC Name2-cyclooctyloxy-N-[4-(1,1-difluoroethyl)-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]acetamide
SMILESCC(F)(F)c1c2c(n[nH]c1=O)C(NC(=O)COC1CCCCCCC1)CC2
InChIInChI=1S/C19H27F2N3O3/c1-19(20,21)16-13-9-10-14(17(13)23-24-18(16)26)22-15(25)11-27-12-7-5-3-2-4-6-8-12/h12,14H,2-11H2,1H3,(H,22,25)(H,24,26)
InChIKeyYRNXNKVPRRPLQU-UHFFFAOYSA-N
XLogP3.11
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-nonan-4-yloxy-N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]acetamide;(E)-N-[(E)-pent-2-en-2-yl]-2-(trifluoromethyl)but-2-en-1-imine
CID 171492918
2-cyclooctyloxy-N-[4-(1,1-difluoroethyl)-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]acetamide;(E)-2-(1,1-difluoroethyl)-N-prop-1-en-2-ylbut-2-en-1-imine
CID 171493373
2-nonan-4-yloxy-N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]acetamide
CID 171492919
2-cyclooctyloxy-N-methyl-N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]acetamide
CID 171493761

Frequently Asked Questions

What is the IUPAC name of 2-cyclooctyloxy-N-[4-(1,1-difluoroethyl)-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]acetamide?
The IUPAC name of 2-cyclooctyloxy-N-[4-(1,1-difluoroethyl)-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]acetamide (CID 171493375) is 2-cyclooctyloxy-N-[4-(1,1-difluoroethyl)-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]acetamide.
What is the SMILES notation for 2-cyclooctyloxy-N-[4-(1,1-difluoroethyl)-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]acetamide?
The canonical SMILES for 2-cyclooctyloxy-N-[4-(1,1-difluoroethyl)-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]acetamide is CC(F)(F)c1c2c(n[nH]c1=O)C(NC(=O)COC1CCCCCCC1)CC2.
What is the InChIKey of 2-cyclooctyloxy-N-[4-(1,1-difluoroethyl)-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]acetamide?
The InChIKey is YRNXNKVPRRPLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2N3O3/c1-19(20,21)16-13-9-10-14(17(13)23-24-18(16)26)22-15(25)11-27-12-7-5-3-2-4-6-8-12/h12,14H,2-11H2,1H3,(H,22,25)(H,24,26).
What are the key properties of 2-cyclooctyloxy-N-[4-(1,1-difluoroethyl)-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]acetamide?
2-cyclooctyloxy-N-[4-(1,1-difluoroethyl)-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]acetamide has a molecular weight of 383.44 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclooctyloxy-N-[4-(1,1-difluoroethyl)-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]acetamide is sourced from PubChem (CID 171493375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).