N-(2,6-dichlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide

C18H21Cl2N3O3 — CID 2475113

IUPACN-(2,6-dichlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCCCC2)C1=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H21Cl2N3O3/c19-12-7-6-8-13(20)15(12)21-14(24)11-23-16(25)18(22-17(23)26)9-4-2-1-3-5-10-18/h6-8H,1-5,9-11H2,(H,21,24)(H,22,26)
InChIKeyHCXALZGGMHXHFQ-UHFFFAOYSA-N
MW398.29 g/mol
LogP3.97
Rot. Bonds3

About N-(2,6-dichlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide

N-(2,6-dichlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide (PubChem CID 2475113) has the molecular formula C18H21Cl2N3O3 and a molecular weight of 398.29 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
PubChem CID2475113
Molecular FormulaC18H21Cl2N3O3
Molecular Weight398.29 g/mol
Exact Mass397.10
IUPAC NameN-(2,6-dichlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCCCC2)C1=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H21Cl2N3O3/c19-12-7-6-8-13(20)15(12)21-14(24)11-23-16(25)18(22-17(23)26)9-4-2-1-3-5-10-18/h6-8H,1-5,9-11H2,(H,21,24)(H,22,26)
InChIKeyHCXALZGGMHXHFQ-UHFFFAOYSA-N
XLogP3.97
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.29
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-2-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 51145756
N-(2,6-dichlorophenyl)-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide
CID 112774177
N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2701850
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7170121
N-(2,6-dichlorophenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2473930
N-(3-chloro-4-piperidin-1-ylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55885276
N-(3-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7609681
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-naphthalen-1-ylacetamide
CID 2622589
N-(3-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 7170143
N-(2-chloro-4-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2701817
N-[(S)-(4-chlorophenyl)-phenylmethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 41229330
N-(2-chloro-5-nitrophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622702

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide (CID 2475113) is N-(2,6-dichlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide is O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide?
The InChIKey is HCXALZGGMHXHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3O3/c19-12-7-6-8-13(20)15(12)21-14(24)11-23-16(25)18(22-17(23)26)9-4-2-1-3-5-10-18/h6-8H,1-5,9-11H2,(H,21,24)(H,22,26).
What are the key properties of N-(2,6-dichlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide?
N-(2,6-dichlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide has a molecular weight of 398.29 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide is sourced from PubChem (CID 2475113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).