N-(4-chloro-2-methylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide

C16H18ClN3O3 — CID 5227138

IUPACN-(4-chloro-2-methylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C16H18ClN3O3/c1-10-8-11(17)4-5-12(10)18-13(21)9-20-14(22)16(19-15(20)23)6-2-3-7-16/h4-5,8H,2-3,6-7,9H2,1H3,(H,18,21)(H,19,23)
InChIKeyBQYDVBNVPRALIE-UHFFFAOYSA-N
MW335.79 g/mol
LogP2.45
Rot. Bonds3

About N-(4-chloro-2-methylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide

N-(4-chloro-2-methylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide (PubChem CID 5227138) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
PubChem CID5227138
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC NameN-(4-chloro-2-methylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C16H18ClN3O3/c1-10-8-11(17)4-5-12(10)18-13(21)9-20-14(22)16(19-15(20)23)6-2-3-7-16/h4-5,8H,2-3,6-7,9H2,1H3,(H,18,21)(H,19,23)
InChIKeyBQYDVBNVPRALIE-UHFFFAOYSA-N
XLogP2.45
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 52.45
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

3-(4-Chloro-phenyl)-1,3-diaza-spiro[4.5]decane-2,4-dione
CID 1448368
N-(4-Chloro-2-methyl-phenyl)-2-pyrrolidin-1-yl-acetamide
CID 6493742
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 2708827
N-(5-chloro-2-methylphenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 4779526
N-(4-chloro-2-methylphenyl)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 9534416
5-Butyl-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 16229725
6-chloro-3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione
CID 14229968
5-[3-[4-(5-Chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione
CID 121448841
1-Benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 73012381
6'-Chloro-3'-methylspiro(imidazolidine-4,4'(1'H)-quinazoline)-2,2',5(3'H)-trione
CID 176053
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2100439
N-(4-chloro-2-methylphenyl)-4-(2,5-dioxo-1-pyrrolidinyl)butanamide
CID 2219810

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide (CID 5227138) is N-(4-chloro-2-methylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide is Cc1cc(Cl)ccc1NC(=O)CN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The InChIKey is BQYDVBNVPRALIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c1-10-8-11(17)4-5-12(10)18-13(21)9-20-14(22)16(19-15(20)23)6-2-3-7-16/h4-5,8H,2-3,6-7,9H2,1H3,(H,18,21)(H,19,23).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
N-(4-chloro-2-methylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide has a molecular weight of 335.79 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide is sourced from PubChem (CID 5227138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).