3-(3-chlorophenyl)-6-(4-ethoxyphenyl)-5-methyl-1,3-diazinane-2,4-dione

C19H19ClN2O3 — CID 78313960

IUPAC3-(3-chlorophenyl)-6-(4-ethoxyphenyl)-5-methyl-1,3-diazinane-2,4-dione
SMILESCCOc1ccc(C2NC(=O)N(c3cccc(Cl)c3)C(=O)C2C)cc1
InChIInChI=1S/C19H19ClN2O3/c1-3-25-16-9-7-13(8-10-16)17-12(2)18(23)22(19(24)21-17)15-6-4-5-14(20)11-15/h4-12,17H,3H2,1-2H3,(H,21,24)
InChIKeyMYNNCQOIUUZFPW-UHFFFAOYSA-N
MW358.83 g/mol
LogP4.17
Rot. Bonds4

About 3-(3-chlorophenyl)-6-(4-ethoxyphenyl)-5-methyl-1,3-diazinane-2,4-dione

3-(3-chlorophenyl)-6-(4-ethoxyphenyl)-5-methyl-1,3-diazinane-2,4-dione (PubChem CID 78313960) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-6-(4-ethoxyphenyl)-5-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-(3-chlorophenyl)-6-(4-ethoxyphenyl)-5-methyl-1,3-diazinane-2,4-dione
PubChem CID78313960
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name3-(3-chlorophenyl)-6-(4-ethoxyphenyl)-5-methyl-1,3-diazinane-2,4-dione
SMILESCCOc1ccc(C2NC(=O)N(c3cccc(Cl)c3)C(=O)C2C)cc1
InChIInChI=1S/C19H19ClN2O3/c1-3-25-16-9-7-13(8-10-16)17-12(2)18(23)22(19(24)21-17)15-6-4-5-14(20)11-15/h4-12,17H,3H2,1-2H3,(H,21,24)
InChIKeyMYNNCQOIUUZFPW-UHFFFAOYSA-N
XLogP4.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-(4-ethoxyphenyl)-4-hydroxypyrrole-2,5-dione
CID 110583357
(4E)-1-(3-chlorophenyl)-5-(4-ethoxyphenyl)-4-[(4-ethoxyphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione
CID 108675062
(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 6977938
1-(3-chlorophenyl)-5-(4-ethoxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
CID 3626285
1-(3-chlorophenyl)-3-(3-methylpiperidin-1-yl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577527
2-[3-(3-chlorophenyl)-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 73370475
1-(3-chlorophenyl)-3-(4-chlorophenyl)-4-(4-ethoxyanilino)pyrrole-2,5-dione
CID 110599927
3-anilino-1-(3-chlorophenyl)-4-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110588311
(5E)-1-(3-chlorophenyl)-5-[(3-ethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2288937
3-(3-chlorophenyl)-5-methyl-1,3-diazepane-2,4-dione
CID 80541037
2-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetic acid
CID 3047053
3-(3-chlorophenyl)-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione
CID 43557973

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-6-(4-ethoxyphenyl)-5-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of 3-(3-chlorophenyl)-6-(4-ethoxyphenyl)-5-methyl-1,3-diazinane-2,4-dione (CID 78313960) is 3-(3-chlorophenyl)-6-(4-ethoxyphenyl)-5-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-(3-chlorophenyl)-6-(4-ethoxyphenyl)-5-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-(3-chlorophenyl)-6-(4-ethoxyphenyl)-5-methyl-1,3-diazinane-2,4-dione is CCOc1ccc(C2NC(=O)N(c3cccc(Cl)c3)C(=O)C2C)cc1.
What is the InChIKey of 3-(3-chlorophenyl)-6-(4-ethoxyphenyl)-5-methyl-1,3-diazinane-2,4-dione?
The InChIKey is MYNNCQOIUUZFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-3-25-16-9-7-13(8-10-16)17-12(2)18(23)22(19(24)21-17)15-6-4-5-14(20)11-15/h4-12,17H,3H2,1-2H3,(H,21,24).
What are the key properties of 3-(3-chlorophenyl)-6-(4-ethoxyphenyl)-5-methyl-1,3-diazinane-2,4-dione?
3-(3-chlorophenyl)-6-(4-ethoxyphenyl)-5-methyl-1,3-diazinane-2,4-dione has a molecular weight of 358.83 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-6-(4-ethoxyphenyl)-5-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 78313960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).