9-benzoyl-N-(3-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide

C21H20ClN3O3 — CID 134079601

IUPAC9-benzoyl-N-(3-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1=NOC2(CCCN(C(=O)c3ccccc3)C2)C1
InChIInChI=1S/C21H20ClN3O3/c22-16-8-4-9-17(12-16)23-19(26)18-13-21(28-24-18)10-5-11-25(14-21)20(27)15-6-2-1-3-7-15/h1-4,6-9,12H,5,10-11,13-14H2,(H,23,26)
InChIKeyWUSLALMZYPIDJR-UHFFFAOYSA-N
MW397.86 g/mol
LogP3.73
Rot. Bonds3

About 9-benzoyl-N-(3-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide

9-benzoyl-N-(3-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (PubChem CID 134079601) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is 9-benzoyl-N-(3-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.

Molecular Properties

Compound Name9-benzoyl-N-(3-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
PubChem CID134079601
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name9-benzoyl-N-(3-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1=NOC2(CCCN(C(=O)c3ccccc3)C2)C1
InChIInChI=1S/C21H20ClN3O3/c22-16-8-4-9-17(12-16)23-19(26)18-13-21(28-24-18)10-5-11-25(14-21)20(27)15-6-2-1-3-7-15/h1-4,6-9,12H,5,10-11,13-14H2,(H,23,26)
InChIKeyWUSLALMZYPIDJR-UHFFFAOYSA-N
XLogP3.73
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-9-propanoyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 134075704
N-(3-chlorophenyl)-9-(cyclopentanecarbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 134079607
N-phenyl-9-(1H-pyrrole-3-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131691420
N-(3-chlorophenyl)-9-(2-phenylethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 155874709
N-(3-chlorophenyl)-9-propan-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 155876407
(5S)-9-(3-methylbenzoyl)-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 97490769
N-phenyl-9-(1H-pyrazole-5-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131691289
9-(3,5-dimethylbenzoyl)-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 134075172
9-(4-ethylbenzoyl)-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131647681
formic acid;9-(6-methylpyridine-3-carbonyl)-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 155872974
[3-(3-chlorophenyl)-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]-phenylmethanone
CID 156602717
phenyl-(3-propan-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone
CID 134789259

Frequently Asked Questions

What is the IUPAC name of 9-benzoyl-N-(3-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The IUPAC name of 9-benzoyl-N-(3-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (CID 134079601) is 9-benzoyl-N-(3-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.
What is the SMILES notation for 9-benzoyl-N-(3-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The canonical SMILES for 9-benzoyl-N-(3-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is O=C(Nc1cccc(Cl)c1)C1=NOC2(CCCN(C(=O)c3ccccc3)C2)C1.
What is the InChIKey of 9-benzoyl-N-(3-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The InChIKey is WUSLALMZYPIDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c22-16-8-4-9-17(12-16)23-19(26)18-13-21(28-24-18)10-5-11-25(14-21)20(27)15-6-2-1-3-7-15/h1-4,6-9,12H,5,10-11,13-14H2,(H,23,26).
What are the key properties of 9-benzoyl-N-(3-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
9-benzoyl-N-(3-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide has a molecular weight of 397.86 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzoyl-N-(3-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is sourced from PubChem (CID 134079601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).