3-(3-chlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione

C14H15ClN2O2 — CID 935328

IUPAC3-(3-chlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C14H15ClN2O2/c15-10-5-4-6-11(9-10)17-12(18)14(16-13(17)19)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H,16,19)
InChIKeyCKHAGPNVQVDKKB-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.10
Rot. Bonds1

About 3-(3-chlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione

3-(3-chlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 935328) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID935328
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name3-(3-chlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C14H15ClN2O2/c15-10-5-4-6-11(9-10)17-12(18)14(16-13(17)19)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H,16,19)
InChIKeyCKHAGPNVQVDKKB-UHFFFAOYSA-N
XLogP3.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.10
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-[(3-chlorophenyl)amino]-4-phenyl-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539457
3-(4-Chloro-phenyl)-1,3-diaza-spiro[4.5]decane-2,4-dione
CID 1448368
(R)-5-(4-bromobenzyl)-3-(3,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione
CID 16079743
5-[3-[4-(3-Chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437569
5-[3-[4-(3-Chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclobutylimidazolidine-2,4-dione
CID 121437752
5-[3-[4-(3-Chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione
CID 121437768
5-[3-[4-(3-Chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione
CID 121437858
5-[3-[(3S)-4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione
CID 121437928
5-[3-[4-(3-Chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134368738
3-p-Tolyl-1,3-diaza-spiro[4.5]decane-2,4-dione
CID 645633
3-Phenyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 935597
1,3-Diazaspiro[4.5]decane-2,4-dione, 3-(3-methylphenyl)-
CID 940140

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(3-chlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione (CID 935328) is 3-(3-chlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(3-chlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(3-chlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione is O=C1NC2(CCCCC2)C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is CKHAGPNVQVDKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c15-10-5-4-6-11(9-10)17-12(18)14(16-13(17)19)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H,16,19).
What are the key properties of 3-(3-chlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
3-(3-chlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 278.74 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 935328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).