N-[(2-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide

C18H22ClN3O3 — CID 2478755

IUPACN-[(2-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCCC2)C1=O)NCc1ccccc1Cl
InChIInChI=1S/C18H22ClN3O3/c19-14-8-4-3-7-13(14)11-20-15(23)12-22-16(24)18(21-17(22)25)9-5-1-2-6-10-18/h3-4,7-8H,1-2,5-6,9-12H2,(H,20,23)(H,21,25)
InChIKeyGITJFHPCUAVWJG-UHFFFAOYSA-N
MW363.85 g/mol
LogP2.60
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide

N-[(2-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide (PubChem CID 2478755) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
PubChem CID2478755
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCCC2)C1=O)NCc1ccccc1Cl
InChIInChI=1S/C18H22ClN3O3/c19-14-8-4-3-7-13(14)11-20-15(23)12-22-16(24)18(21-17(22)25)9-5-1-2-6-10-18/h3-4,7-8H,1-2,5-6,9-12H2,(H,20,23)(H,21,25)
InChIKeyGITJFHPCUAVWJG-UHFFFAOYSA-N
XLogP2.60
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-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-[(2-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide (CID 2478755) is N-[(2-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide is O=C(CN1C(=O)NC2(CCCCCC2)C1=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide?
The InChIKey is GITJFHPCUAVWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c19-14-8-4-3-7-13(14)11-20-15(23)12-22-16(24)18(21-17(22)25)9-5-1-2-6-10-18/h3-4,7-8H,1-2,5-6,9-12H2,(H,20,23)(H,21,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide?
N-[(2-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide has a molecular weight of 363.85 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide is sourced from PubChem (CID 2478755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).