3-[(3-chlorophenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione

C17H21ClN2O2 — CID 2527738

IUPAC3-[(3-chlorophenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
SMILESO=C1NC2(CCCCCCC2)C(=O)N1Cc1cccc(Cl)c1
InChIInChI=1S/C17H21ClN2O2/c18-14-8-6-7-13(11-14)12-20-15(21)17(19-16(20)22)9-4-2-1-3-5-10-17/h6-8,11H,1-5,9-10,12H2,(H,19,22)
InChIKeyHTXQVWXXWYACJD-UHFFFAOYSA-N
MW320.82 g/mol
LogP3.87
Rot. Bonds2

About 3-[(3-chlorophenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione

3-[(3-chlorophenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione (PubChem CID 2527738) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
PubChem CID2527738
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC Name3-[(3-chlorophenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
SMILESO=C1NC2(CCCCCCC2)C(=O)N1Cc1cccc(Cl)c1
InChIInChI=1S/C17H21ClN2O2/c18-14-8-6-7-13(11-14)12-20-15(21)17(19-16(20)22)9-4-2-1-3-5-10-17/h6-8,11H,1-5,9-10,12H2,(H,19,22)
InChIKeyHTXQVWXXWYACJD-UHFFFAOYSA-N
XLogP3.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 9171228
3-[(3-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 47094861
3-[(3-chlorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 30551380
8-benzoyl-3-[(3-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83278819
3-[(3-chlorophenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 3330388
3-[(2-chloro-4-pyridinyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 51129751
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 112774081
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4810094
8-[2-(2-chlorophenyl)acetyl]-3-[(3-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83278754
(3R)-3'-[(3-chlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 9438659
3-[(3-chlorophenyl)methyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 36658226
3-[2-(3-chlorophenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17457674

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione (CID 2527738) is 3-[(3-chlorophenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione is O=C1NC2(CCCCCCC2)C(=O)N1Cc1cccc(Cl)c1.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The InChIKey is HTXQVWXXWYACJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2/c18-14-8-6-7-13(11-14)12-20-15(21)17(19-16(20)22)9-4-2-1-3-5-10-17/h6-8,11H,1-5,9-10,12H2,(H,19,22).
What are the key properties of 3-[(3-chlorophenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
3-[(3-chlorophenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione has a molecular weight of 320.82 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione is sourced from PubChem (CID 2527738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).