3-[2-(2,5-dichlorophenyl)-2-hydroxyethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C15H16Cl2N2O3 — CID 47053145

IUPAC3-[2-(2,5-dichlorophenyl)-2-hydroxyethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1CC(O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H16Cl2N2O3/c16-9-3-4-11(17)10(7-9)12(20)8-19-13(21)15(18-14(19)22)5-1-2-6-15/h3-4,7,12,20H,1-2,5-6,8H2,(H,18,22)
InChIKeyVUIMWVIWTHXVMA-UHFFFAOYSA-N
MW343.21 g/mol
LogP2.89
Rot. Bonds3

About 3-[2-(2,5-dichlorophenyl)-2-hydroxyethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[2-(2,5-dichlorophenyl)-2-hydroxyethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 47053145) has the molecular formula C15H16Cl2N2O3 and a molecular weight of 343.21 g/mol. Its IUPAC name is 3-[2-(2,5-dichlorophenyl)-2-hydroxyethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[2-(2,5-dichlorophenyl)-2-hydroxyethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID47053145
Molecular FormulaC15H16Cl2N2O3
Molecular Weight343.21 g/mol
Exact Mass342.05
IUPAC Name3-[2-(2,5-dichlorophenyl)-2-hydroxyethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1CC(O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H16Cl2N2O3/c16-9-3-4-11(17)10(7-9)12(20)8-19-13(21)15(18-14(19)22)5-1-2-6-15/h3-4,7,12,20H,1-2,5-6,8H2,(H,18,22)
InChIKeyVUIMWVIWTHXVMA-UHFFFAOYSA-N
XLogP2.89
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 52.89
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

7-[2-(2-fluorophenyl)-2-hydroxyethyl]-5,7-diazaspiro[3.4]octane-6,8-dione
CID 110921257
2-[2-(2,5-dichlorophenyl)-2-hydroxyethyl]isoindole-1,3-dione
CID 91136158
3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2452438
3-[2-(3-chlorophenyl)-2-hydroxyethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 111476304
7-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5,7-diazaspiro[3.4]octane-6,8-dione
CID 111476758
N-[1-(2,4-dichlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 4880191
N-[1-(2,4-dichlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 42978759
N-[2-(2,4-dichlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 2090297
2-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 94385512
3-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 94385012
(5S,6R)-3-[(2R)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 94385222
3-(3-bromo-2-hydroxypropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 112560051

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-dichlorophenyl)-2-hydroxyethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[2-(2,5-dichlorophenyl)-2-hydroxyethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 47053145) is 3-[2-(2,5-dichlorophenyl)-2-hydroxyethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[2-(2,5-dichlorophenyl)-2-hydroxyethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[2-(2,5-dichlorophenyl)-2-hydroxyethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C1NC2(CCCC2)C(=O)N1CC(O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 3-[2-(2,5-dichlorophenyl)-2-hydroxyethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is VUIMWVIWTHXVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O3/c16-9-3-4-11(17)10(7-9)12(20)8-19-13(21)15(18-14(19)22)5-1-2-6-15/h3-4,7,12,20H,1-2,5-6,8H2,(H,18,22).
What are the key properties of 3-[2-(2,5-dichlorophenyl)-2-hydroxyethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[2-(2,5-dichlorophenyl)-2-hydroxyethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 343.21 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dichlorophenyl)-2-hydroxyethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 47053145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).