3-(2,4-dichlorophenyl)-1-methyl-1,3-diazinane-2,4-dione

C11H10Cl2N2O2 — CID 3063674

IUPAC3-(2,4-dichlorophenyl)-1-methyl-1,3-diazinane-2,4-dione
SMILESCN1CCC(=O)N(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C11H10Cl2N2O2/c1-14-5-4-10(16)15(11(14)17)9-3-2-7(12)6-8(9)13/h2-3,6H,4-5H2,1H3
InChIKeyDZXXYRZXCCPOAL-UHFFFAOYSA-N
MW273.12 g/mol
LogP2.78
Rot. Bonds1

About 3-(2,4-dichlorophenyl)-1-methyl-1,3-diazinane-2,4-dione

3-(2,4-dichlorophenyl)-1-methyl-1,3-diazinane-2,4-dione (PubChem CID 3063674) has the molecular formula C11H10Cl2N2O2 and a molecular weight of 273.12 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-1-methyl-1,3-diazinane-2,4-dione
PubChem CID3063674
Molecular FormulaC11H10Cl2N2O2
Molecular Weight273.12 g/mol
Exact Mass272.01
IUPAC Name3-(2,4-dichlorophenyl)-1-methyl-1,3-diazinane-2,4-dione
SMILESCN1CCC(=O)N(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C11H10Cl2N2O2/c1-14-5-4-10(16)15(11(14)17)9-3-2-7(12)6-8(9)13/h2-3,6H,4-5H2,1H3
InChIKeyDZXXYRZXCCPOAL-UHFFFAOYSA-N
XLogP2.78
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-1-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of 3-(2,4-dichlorophenyl)-1-methyl-1,3-diazinane-2,4-dione (CID 3063674) is 3-(2,4-dichlorophenyl)-1-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-1-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-(2,4-dichlorophenyl)-1-methyl-1,3-diazinane-2,4-dione is CN1CCC(=O)N(c2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of 3-(2,4-dichlorophenyl)-1-methyl-1,3-diazinane-2,4-dione?
The InChIKey is DZXXYRZXCCPOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O2/c1-14-5-4-10(16)15(11(14)17)9-3-2-7(12)6-8(9)13/h2-3,6H,4-5H2,1H3.
What are the key properties of 3-(2,4-dichlorophenyl)-1-methyl-1,3-diazinane-2,4-dione?
3-(2,4-dichlorophenyl)-1-methyl-1,3-diazinane-2,4-dione has a molecular weight of 273.12 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-1-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 3063674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).