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

C16H18ClN3O3 — CID 2710197

IUPACN-(3-chloro-4-methylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1Cl
InChIInChI=1S/C16H18ClN3O3/c1-10-4-5-11(8-12(10)17)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)
InChIKeyQHJIDUJLVFOROC-UHFFFAOYSA-N
MW335.79 g/mol
LogP2.45
Rot. Bonds3

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

N-(3-chloro-4-methylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide (PubChem CID 2710197) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
PubChem CID2710197
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1Cl
InChIInChI=1S/C16H18ClN3O3/c1-10-4-5-11(8-12(10)17)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)
InChIKeyQHJIDUJLVFOROC-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide (CID 2710197) is N-(3-chloro-4-methylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide is Cc1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The InChIKey is QHJIDUJLVFOROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c1-10-4-5-11(8-12(10)17)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-(3-chloro-4-methylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
N-(3-chloro-4-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-(3-chloro-4-methylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide is sourced from PubChem (CID 2710197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).