5-[1-(2,3-dichlorophenyl)-2-phenylethyl]-1,3-diazinane-2,4,6-trione

C18H14Cl2N2O3 — CID 10904915

IUPAC5-[1-(2,3-dichlorophenyl)-2-phenylethyl]-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(C(Cc2ccccc2)c2cccc(Cl)c2Cl)C(=O)N1
InChIInChI=1S/C18H14Cl2N2O3/c19-13-8-4-7-11(15(13)20)12(9-10-5-2-1-3-6-10)14-16(23)21-18(25)22-17(14)24/h1-8,12,14H,9H2,(H2,21,22,23,24,25)
InChIKeyMBYSOXIPUMPINB-UHFFFAOYSA-N
MW377.23 g/mol
LogP3.30
Rot. Bonds4

About 5-[1-(2,3-dichlorophenyl)-2-phenylethyl]-1,3-diazinane-2,4,6-trione

5-[1-(2,3-dichlorophenyl)-2-phenylethyl]-1,3-diazinane-2,4,6-trione (PubChem CID 10904915) has the molecular formula C18H14Cl2N2O3 and a molecular weight of 377.23 g/mol. Its IUPAC name is 5-[1-(2,3-dichlorophenyl)-2-phenylethyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[1-(2,3-dichlorophenyl)-2-phenylethyl]-1,3-diazinane-2,4,6-trione
PubChem CID10904915
Molecular FormulaC18H14Cl2N2O3
Molecular Weight377.23 g/mol
Exact Mass376.04
IUPAC Name5-[1-(2,3-dichlorophenyl)-2-phenylethyl]-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(C(Cc2ccccc2)c2cccc(Cl)c2Cl)C(=O)N1
InChIInChI=1S/C18H14Cl2N2O3/c19-13-8-4-7-11(15(13)20)12(9-10-5-2-1-3-6-10)14-16(23)21-18(25)22-17(14)24/h1-8,12,14H,9H2,(H2,21,22,23,24,25)
InChIKeyMBYSOXIPUMPINB-UHFFFAOYSA-N
XLogP3.30
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,3-dichlorophenyl)-2-phenylethyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[1-(2,3-dichlorophenyl)-2-phenylethyl]-1,3-diazinane-2,4,6-trione (CID 10904915) is 5-[1-(2,3-dichlorophenyl)-2-phenylethyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[1-(2,3-dichlorophenyl)-2-phenylethyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[1-(2,3-dichlorophenyl)-2-phenylethyl]-1,3-diazinane-2,4,6-trione is O=C1NC(=O)C(C(Cc2ccccc2)c2cccc(Cl)c2Cl)C(=O)N1.
What is the InChIKey of 5-[1-(2,3-dichlorophenyl)-2-phenylethyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is MBYSOXIPUMPINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O3/c19-13-8-4-7-11(15(13)20)12(9-10-5-2-1-3-6-10)14-16(23)21-18(25)22-17(14)24/h1-8,12,14H,9H2,(H2,21,22,23,24,25).
What are the key properties of 5-[1-(2,3-dichlorophenyl)-2-phenylethyl]-1,3-diazinane-2,4,6-trione?
5-[1-(2,3-dichlorophenyl)-2-phenylethyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 377.23 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,3-dichlorophenyl)-2-phenylethyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 10904915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).