N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide

C16H18ClN3O3 — CID 5104281

IUPACN-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1)N1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C16H18ClN3O3/c1-10(13(21)18-12-6-4-11(17)5-7-12)20-14(22)16(19-15(20)23)8-2-3-9-16/h4-7,10H,2-3,8-9H2,1H3,(H,18,21)(H,19,23)
InChIKeyZOAZOQQGMQZXLF-UHFFFAOYSA-N
MW335.79 g/mol
LogP2.53
Rot. Bonds3

About N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide

N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide (PubChem CID 5104281) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
PubChem CID5104281
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC NameN-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1)N1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C16H18ClN3O3/c1-10(13(21)18-12-6-4-11(17)5-7-12)20-14(22)16(19-15(20)23)8-2-3-9-16/h4-7,10H,2-3,8-9H2,1H3,(H,18,21)(H,19,23)
InChIKeyZOAZOQQGMQZXLF-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
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

2,4-Imidazolidinedione, 3-(4-chlorophenyl)-
CID 723871
N-(4-chlorophenyl)-N'-(2-oxoazepan-3-yl)urea
CID 2805571
3-(4-Chlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 1448368
3-(3-Chlorophenyl)-1,3-diazaspiro(4.5)decane-2,4-dione
CID 935328
N-(4-chlorophenyl)-2-(2-oxo-1-pyrrolidinyl)butanamide
CID 4120877
N-(5-chloro-2-methylphenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 4779526
N-(4-chloro-2-methylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 5227138
N-(4-chloro-2-methylphenyl)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 9534416
N-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxo-3-(prop-2-en-1-yl)imidazolidin-4-yl]acetamide
CID 2980959
N-[(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide
CID 24738063
(R)-N2-(4-Chlorobenzyl)-N2-methyl-N1-p-tolylpyrrolidine-1,2-dicarboxamide
CID 25233579
5-[3-[4-(3-Chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437569

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
The IUPAC name of N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide (CID 5104281) is N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide is CC(C(=O)Nc1ccc(Cl)cc1)N1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
The InChIKey is ZOAZOQQGMQZXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c1-10(13(21)18-12-6-4-11(17)5-7-12)20-14(22)16(19-15(20)23)8-2-3-9-16/h4-7,10H,2-3,8-9H2,1H3,(H,18,21)(H,19,23).
What are the key properties of N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide has a molecular weight of 335.79 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide is sourced from PubChem (CID 5104281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).