1-[1-(4-chlorophenyl)ethyl]-1,3-diazinane-2,4,6-trione

C12H11ClN2O3 — CID 112597865

IUPAC1-[1-(4-chlorophenyl)ethyl]-1,3-diazinane-2,4,6-trione
SMILESCC(c1ccc(Cl)cc1)N1C(=O)CC(=O)NC1=O
InChIInChI=1S/C12H11ClN2O3/c1-7(8-2-4-9(13)5-3-8)15-11(17)6-10(16)14-12(15)18/h2-5,7H,6H2,1H3,(H,14,16,18)
InChIKeyFFFZXHDCWPICQK-UHFFFAOYSA-N
MW266.68 g/mol
LogP1.87
Rot. Bonds2

About 1-[1-(4-chlorophenyl)ethyl]-1,3-diazinane-2,4,6-trione

1-[1-(4-chlorophenyl)ethyl]-1,3-diazinane-2,4,6-trione (PubChem CID 112597865) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)ethyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)ethyl]-1,3-diazinane-2,4,6-trione
PubChem CID112597865
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name1-[1-(4-chlorophenyl)ethyl]-1,3-diazinane-2,4,6-trione
SMILESCC(c1ccc(Cl)cc1)N1C(=O)CC(=O)NC1=O
InChIInChI=1S/C12H11ClN2O3/c1-7(8-2-4-9(13)5-3-8)15-11(17)6-10(16)14-12(15)18/h2-5,7H,6H2,1H3,(H,14,16,18)
InChIKeyFFFZXHDCWPICQK-UHFFFAOYSA-N
XLogP1.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[1-(4-chlorophenyl)ethyl]-5-methyl-4H-pyrazol-3-one
CID 131881025
3-bromo-1-[1-(4-chlorophenyl)ethyl]pyrrolidine-2,5-dione
CID 67935768
1-[1-(4-chlorophenyl)ethyl]-5-propyl-1,3-diazinane-2,4,6-trione
CID 115947305
4-[1-(4-chlorophenyl)ethyl]piperazin-2-one
CID 47358336
2-[1-[4-(4-chlorophenyl)phenyl]ethyl]isoindole-1,3-dione
CID 91078118
1-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrrole
CID 55029213
1-[2-(4-chlorophenyl)ethyl]-1,3-diazinane-2,4,6-trione
CID 6472394
2-(4-chlorophenyl)-1-[(1S)-1-phenylethyl]-4H-imidazol-5-one
CID 153197655
1-[1-(4-chlorophenyl)ethyl]-4-sulfanylpyrrolidin-2-one
CID 168707640
1-(2-hydroxy-1-phenylethyl)-1,3-diazinane-2,4,6-trione
CID 70627664
3-[1-(4-chlorophenyl)ethyl]-1H-imidazol-2-one
CID 103125378
3-[[(1R)-1-(4-chlorophenyl)ethyl]amino]pyrrolidine-2,5-dione
CID 81352768

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)ethyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-[1-(4-chlorophenyl)ethyl]-1,3-diazinane-2,4,6-trione (CID 112597865) is 1-[1-(4-chlorophenyl)ethyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-[1-(4-chlorophenyl)ethyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-[1-(4-chlorophenyl)ethyl]-1,3-diazinane-2,4,6-trione is CC(c1ccc(Cl)cc1)N1C(=O)CC(=O)NC1=O.
What is the InChIKey of 1-[1-(4-chlorophenyl)ethyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is FFFZXHDCWPICQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c1-7(8-2-4-9(13)5-3-8)15-11(17)6-10(16)14-12(15)18/h2-5,7H,6H2,1H3,(H,14,16,18).
What are the key properties of 1-[1-(4-chlorophenyl)ethyl]-1,3-diazinane-2,4,6-trione?
1-[1-(4-chlorophenyl)ethyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 266.68 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)ethyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 112597865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).