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

C18H22ClN3O3 — CID 2102967

IUPACN-[(4-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCCC2)C1=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H22ClN3O3/c19-14-7-5-13(6-8-14)11-20-15(23)12-22-16(24)18(21-17(22)25)9-3-1-2-4-10-18/h5-8H,1-4,9-12H2,(H,20,23)(H,21,25)
InChIKeyDJTZGUJQPVJACJ-UHFFFAOYSA-N
MW363.85 g/mol
LogP2.60
Rot. Bonds4

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

N-[(4-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide (PubChem CID 2102967) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
PubChem CID2102967
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCCC2)C1=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H22ClN3O3/c19-14-7-5-13(6-8-14)11-20-15(23)12-22-16(24)18(21-17(22)25)9-3-1-2-4-10-18/h5-8H,1-4,9-12H2,(H,20,23)(H,21,25)
InChIKeyDJTZGUJQPVJACJ-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'}

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Related Compounds

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CID 25011732
2,4-Imidazolidinedione, 5-(p-chlorophenyl)-
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m-Chlorobenzylamide, 2
CID 44237081
5-(4-Chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 134587
5-(3-Chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 243329
m-Chlorobenzylamide, 7
CID 44237086
2-(4-chlorophenyl)-2-{[(2,5-dioxoimidazolidin-4-yl)acetyl]amino}-N-(3-ethoxypropyl)acetamide
CID 3236607
N-[(4-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2083685
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-methylacetamide
CID 2091432
3-[(2-Chloro-6-fluorophenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 2372698
N-[(4-chlorophenyl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2412458
N-benzyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 2437068

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide (CID 2102967) is N-[(4-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide is O=C(CN1C(=O)NC2(CCCCCC2)C1=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide?
The InChIKey is DJTZGUJQPVJACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c19-14-7-5-13(6-8-14)11-20-15(23)12-22-16(24)18(21-17(22)25)9-3-1-2-4-10-18/h5-8H,1-4,9-12H2,(H,20,23)(H,21,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide?
N-[(4-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-[(4-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide is sourced from PubChem (CID 2102967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).