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

C11H10Cl2N2O2 — CID 3063671

IUPAC1-(2,4-dichlorophenyl)-3-methyl-1,3-diazinane-2,4-dione
SMILESCN1C(=O)CCN(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C11H10Cl2N2O2/c1-14-10(16)4-5-15(11(14)17)9-3-2-7(12)6-8(9)13/h2-3,6H,4-5H2,1H3
InChIKeyVEEHFKQHDCBJHQ-UHFFFAOYSA-N
MW273.12 g/mol
LogP2.78
Rot. Bonds1

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

1-(2,4-dichlorophenyl)-3-methyl-1,3-diazinane-2,4-dione (PubChem CID 3063671) has the molecular formula C11H10Cl2N2O2 and a molecular weight of 273.12 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-methyl-1,3-diazinane-2,4-dione
PubChem CID3063671
Molecular FormulaC11H10Cl2N2O2
Molecular Weight273.12 g/mol
Exact Mass272.01
IUPAC Name1-(2,4-dichlorophenyl)-3-methyl-1,3-diazinane-2,4-dione
SMILESCN1C(=O)CCN(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C11H10Cl2N2O2/c1-14-10(16)4-5-15(11(14)17)9-3-2-7(12)6-8(9)13/h2-3,6H,4-5H2,1H3
InChIKeyVEEHFKQHDCBJHQ-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 1-(2,4-dichlorophenyl)-3-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-methyl-1,3-diazinane-2,4-dione (CID 3063671) is 1-(2,4-dichlorophenyl)-3-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-methyl-1,3-diazinane-2,4-dione is CN1C(=O)CCN(c2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-methyl-1,3-diazinane-2,4-dione?
The InChIKey is VEEHFKQHDCBJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O2/c1-14-10(16)4-5-15(11(14)17)9-3-2-7(12)6-8(9)13/h2-3,6H,4-5H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-3-methyl-1,3-diazinane-2,4-dione?
1-(2,4-dichlorophenyl)-3-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 1-(2,4-dichlorophenyl)-3-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 3063671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).