2-(4-chloro-3-fluorophenoxy)-N-[7-(2-cyclobutyloxyacetyl)-7-azaspiro[3.5]nonan-2-yl]acetamide

C22H28ClFN2O4 — CID 139517484

IUPAC2-(4-chloro-3-fluorophenoxy)-N-[7-(2-cyclobutyloxyacetyl)-7-azaspiro[3.5]nonan-2-yl]acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NC1CC2(CCN(C(=O)COC3CCC3)CC2)C1
InChIInChI=1S/C22H28ClFN2O4/c23-18-5-4-17(10-19(18)24)29-13-20(27)25-15-11-22(12-15)6-8-26(9-7-22)21(28)14-30-16-2-1-3-16/h4-5,10,15-16H,1-3,6-9,11-14H2,(H,25,27)
InChIKeyFADLLDVZNRZSHM-UHFFFAOYSA-N
MW438.93 g/mol
LogP3.31
Rot. Bonds7

About 2-(4-chloro-3-fluorophenoxy)-N-[7-(2-cyclobutyloxyacetyl)-7-azaspiro[3.5]nonan-2-yl]acetamide

2-(4-chloro-3-fluorophenoxy)-N-[7-(2-cyclobutyloxyacetyl)-7-azaspiro[3.5]nonan-2-yl]acetamide (PubChem CID 139517484) has the molecular formula C22H28ClFN2O4 and a molecular weight of 438.93 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[7-(2-cyclobutyloxyacetyl)-7-azaspiro[3.5]nonan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-[7-(2-cyclobutyloxyacetyl)-7-azaspiro[3.5]nonan-2-yl]acetamide
PubChem CID139517484
Molecular FormulaC22H28ClFN2O4
Molecular Weight438.93 g/mol
Exact Mass438.17
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-[7-(2-cyclobutyloxyacetyl)-7-azaspiro[3.5]nonan-2-yl]acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NC1CC2(CCN(C(=O)COC3CCC3)CC2)C1
InChIInChI=1S/C22H28ClFN2O4/c23-18-5-4-17(10-19(18)24)29-13-20(27)25-15-11-22(12-15)6-8-26(9-7-22)21(28)14-30-16-2-1-3-16/h4-5,10,15-16H,1-3,6-9,11-14H2,(H,25,27)
InChIKeyFADLLDVZNRZSHM-UHFFFAOYSA-N
XLogP3.31
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.93
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3-fluorophenoxy)-N-[2-(2-cyclobutyloxyacetyl)-2-azaspiro[3.3]heptan-6-yl]acetamide
CID 139517541
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-cyclobutyloxyacetyl)piperidin-4-yl]acetamide
CID 139517542
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-[(2S,5R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2,5-dihydroxy-1-bicyclo[2.2.2]octanyl]acetamide
CID 142585911
2-(4-chloro-3-fluorophenoxy)-N-[(2R,5R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2,5-dihydroxy-1-bicyclo[2.2.2]octanyl]acetamide
CID 154699055
2-(4-chloro-3-fluorophenoxy)-N-[(1R,2S,4R,5S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2,5-dihydroxy-1-bicyclo[2.2.2]octanyl]acetamide
CID 155285831
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-[1-[[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-4-yl]acetamide
CID 146458131

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[7-(2-cyclobutyloxyacetyl)-7-azaspiro[3.5]nonan-2-yl]acetamide?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[7-(2-cyclobutyloxyacetyl)-7-azaspiro[3.5]nonan-2-yl]acetamide (CID 139517484) is 2-(4-chloro-3-fluorophenoxy)-N-[7-(2-cyclobutyloxyacetyl)-7-azaspiro[3.5]nonan-2-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[7-(2-cyclobutyloxyacetyl)-7-azaspiro[3.5]nonan-2-yl]acetamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[7-(2-cyclobutyloxyacetyl)-7-azaspiro[3.5]nonan-2-yl]acetamide is O=C(COc1ccc(Cl)c(F)c1)NC1CC2(CCN(C(=O)COC3CCC3)CC2)C1.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[7-(2-cyclobutyloxyacetyl)-7-azaspiro[3.5]nonan-2-yl]acetamide?
The InChIKey is FADLLDVZNRZSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClFN2O4/c23-18-5-4-17(10-19(18)24)29-13-20(27)25-15-11-22(12-15)6-8-26(9-7-22)21(28)14-30-16-2-1-3-16/h4-5,10,15-16H,1-3,6-9,11-14H2,(H,25,27).
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[7-(2-cyclobutyloxyacetyl)-7-azaspiro[3.5]nonan-2-yl]acetamide?
2-(4-chloro-3-fluorophenoxy)-N-[7-(2-cyclobutyloxyacetyl)-7-azaspiro[3.5]nonan-2-yl]acetamide has a molecular weight of 438.93 g/mol, XLogP of 3.31, 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-[7-(2-cyclobutyloxyacetyl)-7-azaspiro[3.5]nonan-2-yl]acetamide is sourced from PubChem (CID 139517484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).