N-(3-chlorophenyl)-2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)acetamide

C17H19ClN2O3 — CID 4500804

IUPACN-(3-chlorophenyl)-2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)acetamide
SMILESO=C(CN1C(=O)CC2(CCCC2)CC1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2O3/c18-12-4-3-5-13(8-12)19-14(21)11-20-15(22)9-17(10-16(20)23)6-1-2-7-17/h3-5,8H,1-2,6-7,9-11H2,(H,19,21)
InChIKeyUIPRUKYHJAQIOH-UHFFFAOYSA-N
MW334.80 g/mol
LogP2.99
Rot. Bonds3

About N-(3-chlorophenyl)-2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)acetamide

N-(3-chlorophenyl)-2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)acetamide (PubChem CID 4500804) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)acetamide
PubChem CID4500804
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC NameN-(3-chlorophenyl)-2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)acetamide
SMILESO=C(CN1C(=O)CC2(CCCC2)CC1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2O3/c18-12-4-3-5-13(8-12)19-14(21)11-20-15(22)9-17(10-16(20)23)6-1-2-7-17/h3-5,8H,1-2,6-7,9-11H2,(H,19,21)
InChIKeyUIPRUKYHJAQIOH-UHFFFAOYSA-N
XLogP2.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(3-chlorophenyl)acetamide
CID 2708286
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(3-chlorophenyl)acetamide
CID 7733866
N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 2917131
2-(1-aminocyclopentyl)-N-(3-chlorophenyl)acetamide
CID 64685930
N-(3-chlorophenyl)-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 23310387
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-chlorophenyl)acetamide
CID 7819933
N-(3-chlorophenyl)-2-[(2S)-2-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide
CID 40504664
N-(3-chlorophenyl)-2-[(1R,2S,6S,7R,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]acetamide
CID 98260581
N-(3-chlorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679492
N-(3-chlorophenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 115304932
N-(3-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7609681
N-(3-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 7170143

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)acetamide (CID 4500804) is N-(3-chlorophenyl)-2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)acetamide is O=C(CN1C(=O)CC2(CCCC2)CC1=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)acetamide?
The InChIKey is UIPRUKYHJAQIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c18-12-4-3-5-13(8-12)19-14(21)11-20-15(22)9-17(10-16(20)23)6-1-2-7-17/h3-5,8H,1-2,6-7,9-11H2,(H,19,21).
What are the key properties of N-(3-chlorophenyl)-2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)acetamide?
N-(3-chlorophenyl)-2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)acetamide has a molecular weight of 334.80 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)acetamide is sourced from PubChem (CID 4500804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).