N-[(3,4-dichlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide

C17H19Cl2N3O3 — CID 24686789

IUPACN-[(3,4-dichlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C17H19Cl2N3O3/c1-21(9-11-4-5-12(18)13(19)8-11)14(23)10-22-15(24)17(20-16(22)25)6-2-3-7-17/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,20,25)
InChIKeyLQQGAIZOVWJDRU-UHFFFAOYSA-N
MW384.26 g/mol
LogP2.82
Rot. Bonds4

About N-[(3,4-dichlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide

N-[(3,4-dichlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide (PubChem CID 24686789) has the molecular formula C17H19Cl2N3O3 and a molecular weight of 384.26 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide
PubChem CID24686789
Molecular FormulaC17H19Cl2N3O3
Molecular Weight384.26 g/mol
Exact Mass383.08
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C17H19Cl2N3O3/c1-21(9-11-4-5-12(18)13(19)8-11)14(23)10-22-15(24)17(20-16(22)25)6-2-3-7-17/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,20,25)
InChIKeyLQQGAIZOVWJDRU-UHFFFAOYSA-N
XLogP2.82
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.26
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide (CID 24686789) is N-[(3,4-dichlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide is CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide?
The InChIKey is LQQGAIZOVWJDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O3/c1-21(9-11-4-5-12(18)13(19)8-11)14(23)10-22-15(24)17(20-16(22)25)6-2-3-7-17/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,20,25).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide?
N-[(3,4-dichlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide has a molecular weight of 384.26 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide is sourced from PubChem (CID 24686789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).