N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(4-fluorophenoxy)acetamide

C15H20FN3O2 — CID 73371195

IUPACN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1)NC1CCC2NNCC2C1
InChIInChI=1S/C15H20FN3O2/c16-11-1-4-13(5-2-11)21-9-15(20)18-12-3-6-14-10(7-12)8-17-19-14/h1-2,4-5,10,12,14,17,19H,3,6-9H2,(H,18,20)
InChIKeyLWBOVNTYDSNSGV-UHFFFAOYSA-N
MW293.34 g/mol
LogP0.97
Rot. Bonds4

About N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(4-fluorophenoxy)acetamide

N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(4-fluorophenoxy)acetamide (PubChem CID 73371195) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(4-fluorophenoxy)acetamide
PubChem CID73371195
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1)NC1CCC2NNCC2C1
InChIInChI=1S/C15H20FN3O2/c16-11-1-4-13(5-2-11)21-9-15(20)18-12-3-6-14-10(7-12)8-17-19-14/h1-2,4-5,10,12,14,17,19H,3,6-9H2,(H,18,20)
InChIKeyLWBOVNTYDSNSGV-UHFFFAOYSA-N
XLogP0.97
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(4-fluorophenoxy)acetamide with MolForge

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Related Compounds

2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide
CID 177253885
2-(4-fluorophenoxy)-N-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide
CID 97039908
N-(1-ethylsulfonylpiperidin-4-yl)-2-(4-fluorophenoxy)acetamide
CID 110823029
[2-(cyclopentylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791687
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791504
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 6601805
N-(1-acetylpiperidin-4-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 55553899
2-(4-chlorophenoxy)-N-[4-[[2-(3,5-difluorophenoxy)acetyl]amino]cyclohexyl]acetamide
CID 121260487
N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-2-(4-chlorophenoxy)acetamide
CID 139517667
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-(4-fluorophenoxy)acetamide
CID 90633747
N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-2-(4-fluorophenoxy)acetamide
CID 96559160
2-(4-chlorophenoxy)-N-(3-methylcyclopentyl)acetamide
CID 90888344

Frequently Asked Questions

What is the IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(4-fluorophenoxy)acetamide (CID 73371195) is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(4-fluorophenoxy)acetamide is O=C(COc1ccc(F)cc1)NC1CCC2NNCC2C1.
What is the InChIKey of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(4-fluorophenoxy)acetamide?
The InChIKey is LWBOVNTYDSNSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c16-11-1-4-13(5-2-11)21-9-15(20)18-12-3-6-14-10(7-12)8-17-19-14/h1-2,4-5,10,12,14,17,19H,3,6-9H2,(H,18,20).
What are the key properties of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(4-fluorophenoxy)acetamide?
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(4-fluorophenoxy)acetamide has a molecular weight of 293.34 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 73371195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).