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

C12H13ClN2O2 — CID 113416658

IUPAC3-(2-chlorophenyl)-5,6-dimethyl-1,3-diazinane-2,4-dione
SMILESCC1NC(=O)N(c2ccccc2Cl)C(=O)C1C
InChIInChI=1S/C12H13ClN2O2/c1-7-8(2)14-12(17)15(11(7)16)10-6-4-3-5-9(10)13/h3-8H,1-2H3,(H,14,17)
InChIKeyFIFWQTBOVOPFSS-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.42
Rot. Bonds1

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

3-(2-chlorophenyl)-5,6-dimethyl-1,3-diazinane-2,4-dione (PubChem CID 113416658) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5,6-dimethyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5,6-dimethyl-1,3-diazinane-2,4-dione
PubChem CID113416658
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name3-(2-chlorophenyl)-5,6-dimethyl-1,3-diazinane-2,4-dione
SMILESCC1NC(=O)N(c2ccccc2Cl)C(=O)C1C
InChIInChI=1S/C12H13ClN2O2/c1-7-8(2)14-12(17)15(11(7)16)10-6-4-3-5-9(10)13/h3-8H,1-2H3,(H,14,17)
InChIKeyFIFWQTBOVOPFSS-UHFFFAOYSA-N
XLogP2.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5,6-dimethyl-1,3-diazinane-2,4-dione?
The IUPAC name of 3-(2-chlorophenyl)-5,6-dimethyl-1,3-diazinane-2,4-dione (CID 113416658) is 3-(2-chlorophenyl)-5,6-dimethyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-(2-chlorophenyl)-5,6-dimethyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-(2-chlorophenyl)-5,6-dimethyl-1,3-diazinane-2,4-dione is CC1NC(=O)N(c2ccccc2Cl)C(=O)C1C.
What is the InChIKey of 3-(2-chlorophenyl)-5,6-dimethyl-1,3-diazinane-2,4-dione?
The InChIKey is FIFWQTBOVOPFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-7-8(2)14-12(17)15(11(7)16)10-6-4-3-5-9(10)13/h3-8H,1-2H3,(H,14,17).
What are the key properties of 3-(2-chlorophenyl)-5,6-dimethyl-1,3-diazinane-2,4-dione?
3-(2-chlorophenyl)-5,6-dimethyl-1,3-diazinane-2,4-dione has a molecular weight of 252.70 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5,6-dimethyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 113416658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).