2-[5-(3-chlorophenyl)naphthalene-1-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one

C24H21ClN2O3 — CID 172671620

IUPAC2-[5-(3-chlorophenyl)naphthalene-1-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
SMILESO=C1COC2(CCN(C(=O)c3cccc4c(-c5cccc(Cl)c5)cccc34)C2)CN1
InChIInChI=1S/C24H21ClN2O3/c25-17-5-1-4-16(12-17)18-6-2-8-20-19(18)7-3-9-21(20)23(29)27-11-10-24(15-27)14-26-22(28)13-30-24/h1-9,12H,10-11,13-15H2,(H,26,28)
InChIKeyZOXYEHDQEFCISU-UHFFFAOYSA-N
MW420.90 g/mol
LogP3.89
Rot. Bonds2

About 2-[5-(3-chlorophenyl)naphthalene-1-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one

2-[5-(3-chlorophenyl)naphthalene-1-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one (PubChem CID 172671620) has the molecular formula C24H21ClN2O3 and a molecular weight of 420.90 g/mol. Its IUPAC name is 2-[5-(3-chlorophenyl)naphthalene-1-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name2-[5-(3-chlorophenyl)naphthalene-1-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
PubChem CID172671620
Molecular FormulaC24H21ClN2O3
Molecular Weight420.90 g/mol
Exact Mass420.12
IUPAC Name2-[5-(3-chlorophenyl)naphthalene-1-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
SMILESO=C1COC2(CCN(C(=O)c3cccc4c(-c5cccc(Cl)c5)cccc34)C2)CN1
InChIInChI=1S/C24H21ClN2O3/c25-17-5-1-4-16(12-17)18-6-2-8-20-19(18)7-3-9-21(20)23(29)27-11-10-24(15-27)14-26-22(28)13-30-24/h1-9,12H,10-11,13-15H2,(H,26,28)
InChIKeyZOXYEHDQEFCISU-UHFFFAOYSA-N
XLogP3.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-(1-oxo-2,3-dihydroindene-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162630313
2-(5-chloropyridine-2-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 139598609
9-(1,3-benzothiazole-7-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162637356
2-[2-oxo-2-(8-oxo-6-oxa-2,9-diazaspiro[4.5]decan-2-yl)ethoxy]benzamide
CID 138810701
2-[bis(4-chlorophenyl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 118962985
2-(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 176500676
6-chloro-1'-(naphthalene-1-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758396
(5R)-3-(4-chlorophenyl)-7-(2-phenylbenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 125025104
8-(2-chlorobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 110668800
(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-[2-(3-methylphenyl)phenyl]methanone
CID 138385530
9-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162631980
N-(2-ethoxyphenyl)-8-oxo-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 138387517

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-chlorophenyl)naphthalene-1-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The IUPAC name of 2-[5-(3-chlorophenyl)naphthalene-1-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one (CID 172671620) is 2-[5-(3-chlorophenyl)naphthalene-1-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one.
What is the SMILES notation for 2-[5-(3-chlorophenyl)naphthalene-1-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The canonical SMILES for 2-[5-(3-chlorophenyl)naphthalene-1-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one is O=C1COC2(CCN(C(=O)c3cccc4c(-c5cccc(Cl)c5)cccc34)C2)CN1.
What is the InChIKey of 2-[5-(3-chlorophenyl)naphthalene-1-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The InChIKey is ZOXYEHDQEFCISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O3/c25-17-5-1-4-16(12-17)18-6-2-8-20-19(18)7-3-9-21(20)23(29)27-11-10-24(15-27)14-26-22(28)13-30-24/h1-9,12H,10-11,13-15H2,(H,26,28).
What are the key properties of 2-[5-(3-chlorophenyl)naphthalene-1-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
2-[5-(3-chlorophenyl)naphthalene-1-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one has a molecular weight of 420.90 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-chlorophenyl)naphthalene-1-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one is sourced from PubChem (CID 172671620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).