2-(4-chloro-3-fluorophenoxy)-N-[2-(2-cyclobutyloxyacetyl)-2-azaspiro[3.3]heptan-6-yl]acetamide

C20H24ClFN2O4 — CID 139517541

IUPAC2-(4-chloro-3-fluorophenoxy)-N-[2-(2-cyclobutyloxyacetyl)-2-azaspiro[3.3]heptan-6-yl]acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NC1CC2(C1)CN(C(=O)COC1CCC1)C2
InChIInChI=1S/C20H24ClFN2O4/c21-16-5-4-15(6-17(16)22)27-9-18(25)23-13-7-20(8-13)11-24(12-20)19(26)10-28-14-2-1-3-14/h4-6,13-14H,1-3,7-12H2,(H,23,25)
InChIKeyJYCJQEXBKVDKDP-UHFFFAOYSA-N
MW410.87 g/mol
LogP2.53
Rot. Bonds7

About 2-(4-chloro-3-fluorophenoxy)-N-[2-(2-cyclobutyloxyacetyl)-2-azaspiro[3.3]heptan-6-yl]acetamide

2-(4-chloro-3-fluorophenoxy)-N-[2-(2-cyclobutyloxyacetyl)-2-azaspiro[3.3]heptan-6-yl]acetamide (PubChem CID 139517541) has the molecular formula C20H24ClFN2O4 and a molecular weight of 410.87 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[2-(2-cyclobutyloxyacetyl)-2-azaspiro[3.3]heptan-6-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-[2-(2-cyclobutyloxyacetyl)-2-azaspiro[3.3]heptan-6-yl]acetamide
PubChem CID139517541
Molecular FormulaC20H24ClFN2O4
Molecular Weight410.87 g/mol
Exact Mass410.14
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-[2-(2-cyclobutyloxyacetyl)-2-azaspiro[3.3]heptan-6-yl]acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NC1CC2(C1)CN(C(=O)COC1CCC1)C2
InChIInChI=1S/C20H24ClFN2O4/c21-16-5-4-15(6-17(16)22)27-9-18(25)23-13-7-20(8-13)11-24(12-20)19(26)10-28-14-2-1-3-14/h4-6,13-14H,1-3,7-12H2,(H,23,25)
InChIKeyJYCJQEXBKVDKDP-UHFFFAOYSA-N
XLogP2.53
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.87
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3-fluorophenoxy)-N-[7-(2-cyclobutyloxyacetyl)-7-azaspiro[3.5]nonan-2-yl]acetamide
CID 139517484
2-(4-chloro-3-fluorophenoxy)-N-[1-(2-cyclobutyloxyacetyl)piperidin-4-yl]acetamide
CID 139517542
2-(4-chloro-3-fluorophenoxy)-N-[7-[2-(3-methylcyclobutyl)oxyacetyl]-7-azaspiro[3.5]nonan-2-yl]acetamide
CID 170085594
2-(4-chloro-3-fluorophenoxy)-N-[1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]piperidin-4-yl]acetamide
CID 139517499
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-bicyclo[2.1.0]pentanyl]-2-cyclobutyloxyacetamide
CID 139517457
tert-butyl (3R)-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidine-1-carboxylate
CID 175746278
2-(4-chloro-3-fluorophenoxy)-N-[2-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-2-azaspiro[3.3]heptan-6-yl]acetamide
CID 169019072
2-(4-chloro-3-fluorophenoxy)-N-[[1-[2-(4-chloro-3-fluorophenoxy)acetyl]pyrrolidin-3-yl]methyl]acetamide
CID 155069111
(1S,5R)-6-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 166681175
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethoxy]cyclobutyl]acetamide
CID 139517471
N-[2-(6-chloro-4-oxo-2,3-dihydrochromene-2-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-2-(3-fluoro-4-methylphenoxy)acetamide
CID 158999096
2-(4-chloro-3-fluorophenoxy)-N-[(3S,6R)-6-[5-(2-cyclobutyloxyethoxy)-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide
CID 162689786

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[2-(2-cyclobutyloxyacetyl)-2-azaspiro[3.3]heptan-6-yl]acetamide?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[2-(2-cyclobutyloxyacetyl)-2-azaspiro[3.3]heptan-6-yl]acetamide (CID 139517541) is 2-(4-chloro-3-fluorophenoxy)-N-[2-(2-cyclobutyloxyacetyl)-2-azaspiro[3.3]heptan-6-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[2-(2-cyclobutyloxyacetyl)-2-azaspiro[3.3]heptan-6-yl]acetamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[2-(2-cyclobutyloxyacetyl)-2-azaspiro[3.3]heptan-6-yl]acetamide is O=C(COc1ccc(Cl)c(F)c1)NC1CC2(C1)CN(C(=O)COC1CCC1)C2.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[2-(2-cyclobutyloxyacetyl)-2-azaspiro[3.3]heptan-6-yl]acetamide?
The InChIKey is JYCJQEXBKVDKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClFN2O4/c21-16-5-4-15(6-17(16)22)27-9-18(25)23-13-7-20(8-13)11-24(12-20)19(26)10-28-14-2-1-3-14/h4-6,13-14H,1-3,7-12H2,(H,23,25).
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[2-(2-cyclobutyloxyacetyl)-2-azaspiro[3.3]heptan-6-yl]acetamide?
2-(4-chloro-3-fluorophenoxy)-N-[2-(2-cyclobutyloxyacetyl)-2-azaspiro[3.3]heptan-6-yl]acetamide has a molecular weight of 410.87 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)-N-[2-(2-cyclobutyloxyacetyl)-2-azaspiro[3.3]heptan-6-yl]acetamide is sourced from PubChem (CID 139517541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).