1-(2-chlorophenyl)-1,3-diazinane-2,4-dione

C10H9ClN2O2 — CID 73456921

IUPAC1-(2-chlorophenyl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccccc2Cl)C(=O)N1
InChIInChI=1S/C10H9ClN2O2/c11-7-3-1-2-4-8(7)13-6-5-9(14)12-10(13)15/h1-4H,5-6H2,(H,12,14,15)
InChIKeyJADCAPMFEZPUSD-UHFFFAOYSA-N
MW224.65 g/mol
LogP1.79
Rot. Bonds1

About 1-(2-chlorophenyl)-1,3-diazinane-2,4-dione

1-(2-chlorophenyl)-1,3-diazinane-2,4-dione (PubChem CID 73456921) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1,3-diazinane-2,4-dione
PubChem CID73456921
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name1-(2-chlorophenyl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccccc2Cl)C(=O)N1
InChIInChI=1S/C10H9ClN2O2/c11-7-3-1-2-4-8(7)13-6-5-9(14)12-10(13)15/h1-4H,5-6H2,(H,12,14,15)
InChIKeyJADCAPMFEZPUSD-UHFFFAOYSA-N
XLogP1.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(2-chlorophenyl)-1,3-diazinane-2,4-dione (CID 73456921) is 1-(2-chlorophenyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(2-chlorophenyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(2-chlorophenyl)-1,3-diazinane-2,4-dione is O=C1CCN(c2ccccc2Cl)C(=O)N1.
What is the InChIKey of 1-(2-chlorophenyl)-1,3-diazinane-2,4-dione?
The InChIKey is JADCAPMFEZPUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c11-7-3-1-2-4-8(7)13-6-5-9(14)12-10(13)15/h1-4H,5-6H2,(H,12,14,15).
What are the key properties of 1-(2-chlorophenyl)-1,3-diazinane-2,4-dione?
1-(2-chlorophenyl)-1,3-diazinane-2,4-dione has a molecular weight of 224.65 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 73456921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).