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

C18H20Cl2N4O4 — CID 24686783

IUPACN-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C18H20Cl2N4O4/c1-23(9-14(25)21-11-4-5-12(19)13(20)8-11)15(26)10-24-16(27)18(22-17(24)28)6-2-3-7-18/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,21,25)(H,22,28)
InChIKeyFMCUKWBFVGRWBB-UHFFFAOYSA-N
MW427.29 g/mol
LogP2.25
Rot. Bonds5

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

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide (PubChem CID 24686783) has the molecular formula C18H20Cl2N4O4 and a molecular weight of 427.29 g/mol. Its IUPAC name is N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide
PubChem CID24686783
Molecular FormulaC18H20Cl2N4O4
Molecular Weight427.29 g/mol
Exact Mass426.09
IUPAC NameN-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C18H20Cl2N4O4/c1-23(9-14(25)21-11-4-5-12(19)13(20)8-11)15(26)10-24-16(27)18(22-17(24)28)6-2-3-7-18/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,21,25)(H,22,28)
InChIKeyFMCUKWBFVGRWBB-UHFFFAOYSA-N
XLogP2.25
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.29
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide?
The IUPAC name of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide (CID 24686783) is N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide.
What is the SMILES notation for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide?
The canonical SMILES for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide is CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide?
The InChIKey is FMCUKWBFVGRWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4O4/c1-23(9-14(25)21-11-4-5-12(19)13(20)8-11)15(26)10-24-16(27)18(22-17(24)28)6-2-3-7-18/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,21,25)(H,22,28).
What are the key properties of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide?
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide has a molecular weight of 427.29 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide is sourced from PubChem (CID 24686783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).