5-(4-chlorophenyl)-1-(2-methoxypropyl)-1,3-diazinane-2,4,6-trione

C14H15ClN2O4 — CID 102702116

IUPAC5-(4-chlorophenyl)-1-(2-methoxypropyl)-1,3-diazinane-2,4,6-trione
SMILESCOC(C)CN1C(=O)NC(=O)C(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C14H15ClN2O4/c1-8(21-2)7-17-13(19)11(12(18)16-14(17)20)9-3-5-10(15)6-4-9/h3-6,8,11H,7H2,1-2H3,(H,16,18,20)
InChIKeyPAYKRAVVDXZRHY-UHFFFAOYSA-N
MW310.74 g/mol
LogP1.54
Rot. Bonds4

About 5-(4-chlorophenyl)-1-(2-methoxypropyl)-1,3-diazinane-2,4,6-trione

5-(4-chlorophenyl)-1-(2-methoxypropyl)-1,3-diazinane-2,4,6-trione (PubChem CID 102702116) has the molecular formula C14H15ClN2O4 and a molecular weight of 310.74 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(2-methoxypropyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(2-methoxypropyl)-1,3-diazinane-2,4,6-trione
PubChem CID102702116
Molecular FormulaC14H15ClN2O4
Molecular Weight310.74 g/mol
Exact Mass310.07
IUPAC Name5-(4-chlorophenyl)-1-(2-methoxypropyl)-1,3-diazinane-2,4,6-trione
SMILESCOC(C)CN1C(=O)NC(=O)C(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C14H15ClN2O4/c1-8(21-2)7-17-13(19)11(12(18)16-14(17)20)9-3-5-10(15)6-4-9/h3-6,8,11H,7H2,1-2H3,(H,16,18,20)
InChIKeyPAYKRAVVDXZRHY-UHFFFAOYSA-N
XLogP1.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-chlorophenyl)-1-pent-4-ynyl-1,3-diazinane-2,4,6-trione
CID 106222259
methyl 2-[5-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-1-yl]acetate
CID 115945837
6-(4-chlorophenyl)-2-ethoxy-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione
CID 136775594
1-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
CID 115946042
5-(4-fluorophenyl)-1-(3-methylbut-2-enyl)-1,3-diazinane-2,4,6-trione
CID 106185830
5-(4-methylphenyl)-1-(3-methylsulfanylpropyl)-1,3-diazinane-2,4,6-trione
CID 115948308
8-(2-methoxypropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 102702120
2-(4-chlorophenyl)-5-ethyl-3-(3-methoxy-2-methylpropyl)imidazolidin-4-one
CID 83252770
6-(4-chlorophenyl)-5,7-dioxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 137004062
methyl 2-[5-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-1-yl]acetate
CID 115945836
3-butan-2-yl-2-(4-chlorophenyl)-5-methylimidazolidin-4-one
CID 83239935
2-(4-chlorophenyl)-3-(2-methoxyethyl)-5-propan-2-ylimidazolidin-4-one
CID 83242547

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(2-methoxypropyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(4-chlorophenyl)-1-(2-methoxypropyl)-1,3-diazinane-2,4,6-trione (CID 102702116) is 5-(4-chlorophenyl)-1-(2-methoxypropyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(2-methoxypropyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(4-chlorophenyl)-1-(2-methoxypropyl)-1,3-diazinane-2,4,6-trione is COC(C)CN1C(=O)NC(=O)C(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 5-(4-chlorophenyl)-1-(2-methoxypropyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is PAYKRAVVDXZRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4/c1-8(21-2)7-17-13(19)11(12(18)16-14(17)20)9-3-5-10(15)6-4-9/h3-6,8,11H,7H2,1-2H3,(H,16,18,20).
What are the key properties of 5-(4-chlorophenyl)-1-(2-methoxypropyl)-1,3-diazinane-2,4,6-trione?
5-(4-chlorophenyl)-1-(2-methoxypropyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 310.74 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(2-methoxypropyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 102702116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).