[3-(3-chlorophenyl)-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]-phenylmethanone

C21H20ClNO2 — CID 156602717

IUPAC[3-(3-chlorophenyl)-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCC2(CC(c3cccc(Cl)c3)=CO2)C1
InChIInChI=1S/C21H20ClNO2/c22-19-9-4-8-17(12-19)18-13-21(25-14-18)10-5-11-23(15-21)20(24)16-6-2-1-3-7-16/h1-4,6-9,12,14H,5,10-11,13,15H2
InChIKeyQINXOHQYHYKTSL-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.78
Rot. Bonds2

About [3-(3-chlorophenyl)-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]-phenylmethanone

[3-(3-chlorophenyl)-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]-phenylmethanone (PubChem CID 156602717) has the molecular formula C21H20ClNO2 and a molecular weight of 353.85 g/mol. Its IUPAC name is [3-(3-chlorophenyl)-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(3-chlorophenyl)-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]-phenylmethanone
PubChem CID156602717
Molecular FormulaC21H20ClNO2
Molecular Weight353.85 g/mol
Exact Mass353.12
IUPAC Name[3-(3-chlorophenyl)-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCC2(CC(c3cccc(Cl)c3)=CO2)C1
InChIInChI=1S/C21H20ClNO2/c22-19-9-4-8-17(12-19)18-13-21(25-14-18)10-5-11-23(15-21)20(24)16-6-2-1-3-7-16/h1-4,6-9,12,14H,5,10-11,13,15H2
InChIKeyQINXOHQYHYKTSL-UHFFFAOYSA-N
XLogP4.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-Benzylpiperidin-1-yl)(3-chlorophenyl)methanone
CID 814705
(E)-N-benzyl-N-[(3-chlorophenyl)methyl]-3-[4-(morpholine-4-carbonyl)phenyl]prop-2-enamide
CID 156019633
(4-Fluorophenyl)-(3-phenyl-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl)methanone
CID 156602669
(3-Fluorophenyl)-(3-phenyl-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl)methanone
CID 156602722
8-[(3-Chlorophenyl)methyl]-3-phenyl-1-oxa-8-azaspiro[4.5]dec-2-en-4-one;hydrochloride
CID 45264492
(3-Chlorophenyl)-[3-[ethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 118742222
(3-Chlorophenyl)-[3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 118742227
[3-(3-Chlorophenyl)-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]-(3-fluorophenyl)methanone
CID 156602666
[3-(4-Chlorophenyl)-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]-(3-fluorophenyl)methanone
CID 156602725
[3-(4-Chlorophenyl)-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]-(4-fluorophenyl)methanone
CID 156602739
[3-(3-Chlorophenyl)-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]-(4-fluorophenyl)methanone
CID 156602749
(4-Chlorophenyl)-(3-phenyl-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl)methanone
CID 71662629

Frequently Asked Questions

What is the IUPAC name of [3-(3-chlorophenyl)-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]-phenylmethanone?
The IUPAC name of [3-(3-chlorophenyl)-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]-phenylmethanone (CID 156602717) is [3-(3-chlorophenyl)-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]-phenylmethanone.
What is the SMILES notation for [3-(3-chlorophenyl)-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]-phenylmethanone?
The canonical SMILES for [3-(3-chlorophenyl)-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]-phenylmethanone is O=C(c1ccccc1)N1CCCC2(CC(c3cccc(Cl)c3)=CO2)C1.
What is the InChIKey of [3-(3-chlorophenyl)-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]-phenylmethanone?
The InChIKey is QINXOHQYHYKTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO2/c22-19-9-4-8-17(12-19)18-13-21(25-14-18)10-5-11-23(15-21)20(24)16-6-2-1-3-7-16/h1-4,6-9,12,14H,5,10-11,13,15H2.
What are the key properties of [3-(3-chlorophenyl)-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]-phenylmethanone?
[3-(3-chlorophenyl)-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]-phenylmethanone has a molecular weight of 353.85 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chlorophenyl)-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]-phenylmethanone is sourced from PubChem (CID 156602717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).