2-(2-chlorophenoxy)-1-[(3R,5R)-3-(2-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone

C22H23Cl2NO4 — CID 129457291

IUPAC2-(2-chlorophenoxy)-1-[(3R,5R)-3-(2-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
SMILESO=C(COc1ccccc1Cl)N1CCC[C@@]2(C[C@@H](Oc3ccccc3Cl)CO2)C1
InChIInChI=1S/C22H23Cl2NO4/c23-17-6-1-3-8-19(17)27-14-21(26)25-11-5-10-22(15-25)12-16(13-28-22)29-20-9-4-2-7-18(20)24/h1-4,6-9,16H,5,10-15H2/t16-,22-/m1/s1
InChIKeyOWWFKKKGOUEFNS-OPAMFIHVSA-N
MW436.34 g/mol
LogP4.60
Rot. Bonds5

About 2-(2-chlorophenoxy)-1-[(3R,5R)-3-(2-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone

2-(2-chlorophenoxy)-1-[(3R,5R)-3-(2-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone (PubChem CID 129457291) has the molecular formula C22H23Cl2NO4 and a molecular weight of 436.34 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-1-[(3R,5R)-3-(2-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-1-[(3R,5R)-3-(2-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
PubChem CID129457291
Molecular FormulaC22H23Cl2NO4
Molecular Weight436.34 g/mol
Exact Mass435.10
IUPAC Name2-(2-chlorophenoxy)-1-[(3R,5R)-3-(2-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
SMILESO=C(COc1ccccc1Cl)N1CCC[C@@]2(C[C@@H](Oc3ccccc3Cl)CO2)C1
InChIInChI=1S/C22H23Cl2NO4/c23-17-6-1-3-8-19(17)27-14-21(26)25-11-5-10-22(15-25)12-16(13-28-22)29-20-9-4-2-7-18(20)24/h1-4,6-9,16H,5,10-15H2/t16-,22-/m1/s1
InChIKeyOWWFKKKGOUEFNS-OPAMFIHVSA-N
XLogP4.60
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.34
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-chlorophenoxy)-1-[(3R,5R)-3-(2-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone with MolForge

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Related Compounds

[(3R,5R)-3-(2-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone
CID 110141838
2-(furan-2-yl)-1-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 97419778
1-[(3R,5S)-3-(3-chloro-4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-(dimethylamino)ethanone
CID 110141973
[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-[(3R,5R)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 155986963
1-[2-[(3R,5R)-3-(3-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-oxoethyl]pyrrolidin-2-one
CID 110152080
2-(2-chlorophenoxy)-1-morpholin-4-ylethanone
CID 905479
2-(2-chlorophenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 43390712
[(3R,5R)-3-(2-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyridazin-3-ylmethanone
CID 110138846
[(3R,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyrrolidin-1-ylmethanone
CID 97420069
[(3S,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyrrolidin-1-ylmethanone
CID 97419892
cyclopropyl-[(3R,5R)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;formic acid
CID 155872470
2-cyclopropyl-1-[(3S,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 97476636

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-1-[(3R,5R)-3-(2-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
The IUPAC name of 2-(2-chlorophenoxy)-1-[(3R,5R)-3-(2-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone (CID 129457291) is 2-(2-chlorophenoxy)-1-[(3R,5R)-3-(2-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenoxy)-1-[(3R,5R)-3-(2-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenoxy)-1-[(3R,5R)-3-(2-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone is O=C(COc1ccccc1Cl)N1CCC[C@@]2(C[C@@H](Oc3ccccc3Cl)CO2)C1.
What is the InChIKey of 2-(2-chlorophenoxy)-1-[(3R,5R)-3-(2-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
The InChIKey is OWWFKKKGOUEFNS-OPAMFIHVSA-N. The full InChI is InChI=1S/C22H23Cl2NO4/c23-17-6-1-3-8-19(17)27-14-21(26)25-11-5-10-22(15-25)12-16(13-28-22)29-20-9-4-2-7-18(20)24/h1-4,6-9,16H,5,10-15H2/t16-,22-/m1/s1.
What are the key properties of 2-(2-chlorophenoxy)-1-[(3R,5R)-3-(2-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
2-(2-chlorophenoxy)-1-[(3R,5R)-3-(2-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone has a molecular weight of 436.34 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-1-[(3R,5R)-3-(2-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone is sourced from PubChem (CID 129457291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).