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

C21H20ClNO2 — CID 71662629

IUPAC(4-chlorophenyl)-(3-phenyl-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCCC2(CC(c3ccccc3)=CO2)C1
InChIInChI=1S/C21H20ClNO2/c22-19-9-7-17(8-10-19)20(24)23-12-4-11-21(15-23)13-18(14-25-21)16-5-2-1-3-6-16/h1-3,5-10,14H,4,11-13,15H2
InChIKeyZNSGIMOBNVUADA-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.78
Rot. Bonds2

About (4-chlorophenyl)-(3-phenyl-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl)methanone

(4-chlorophenyl)-(3-phenyl-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl)methanone (PubChem CID 71662629) has the molecular formula C21H20ClNO2 and a molecular weight of 353.85 g/mol. Its IUPAC name is (4-chlorophenyl)-(3-phenyl-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(3-phenyl-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl)methanone
PubChem CID71662629
Molecular FormulaC21H20ClNO2
Molecular Weight353.85 g/mol
Exact Mass353.12
IUPAC Name(4-chlorophenyl)-(3-phenyl-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCCC2(CC(c3ccccc3)=CO2)C1
InChIInChI=1S/C21H20ClNO2/c22-19-9-7-17(8-10-19)20(24)23-12-4-11-21(15-23)13-18(14-25-21)16-5-2-1-3-6-16/h1-3,5-10,14H,4,11-13,15H2
InChIKeyZNSGIMOBNVUADA-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

[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]-phenylmethanone
CID 156602717
4-[9-(4-fluorobenzoyl)-1-oxa-9-azaspiro[4.5]dec-2-en-3-yl]benzonitrile
CID 156602750
1-(4-chlorobenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 55167027
(3S)-3-hydroxy-1-(4-phenylbenzoyl)piperidine-3-carboxamide
CID 100651742
(6R)-4-benzyl-10-(4-chlorobenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 125015862
1'-(4-chlorobenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585858
phenyl-(3-propan-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone
CID 134789259
phenyl-(3-pyridin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone
CID 134787749
9-benzoyl-N-(3-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 134079601
3-amino-1-(4-chlorobenzoyl)pyrrolidine-3-carboxylic acid
CID 107323378
(4-chlorophenyl)-[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]methanone
CID 97393507

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(3-phenyl-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(3-phenyl-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl)methanone (CID 71662629) is (4-chlorophenyl)-(3-phenyl-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(3-phenyl-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(3-phenyl-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl)methanone is O=C(c1ccc(Cl)cc1)N1CCCC2(CC(c3ccccc3)=CO2)C1.
What is the InChIKey of (4-chlorophenyl)-(3-phenyl-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl)methanone?
The InChIKey is ZNSGIMOBNVUADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO2/c22-19-9-7-17(8-10-19)20(24)23-12-4-11-21(15-23)13-18(14-25-21)16-5-2-1-3-6-16/h1-3,5-10,14H,4,11-13,15H2.
What are the key properties of (4-chlorophenyl)-(3-phenyl-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl)methanone?
(4-chlorophenyl)-(3-phenyl-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl)methanone 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 (4-chlorophenyl)-(3-phenyl-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl)methanone is sourced from PubChem (CID 71662629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).