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

C16H18Cl2N2O2 — CID 23321841

IUPAC1-cyclohexyl-3-(3,4-dichlorophenyl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(C2CCCCC2)C(=O)N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H18Cl2N2O2/c17-13-7-6-12(10-14(13)18)20-15(21)8-9-19(16(20)22)11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2
InChIKeyDLNGZANUYACPST-UHFFFAOYSA-N
MW341.24 g/mol
LogP4.48
Rot. Bonds2

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

1-cyclohexyl-3-(3,4-dichlorophenyl)-1,3-diazinane-2,4-dione (PubChem CID 23321841) has the molecular formula C16H18Cl2N2O2 and a molecular weight of 341.24 g/mol. Its IUPAC name is 1-cyclohexyl-3-(3,4-dichlorophenyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-cyclohexyl-3-(3,4-dichlorophenyl)-1,3-diazinane-2,4-dione
PubChem CID23321841
Molecular FormulaC16H18Cl2N2O2
Molecular Weight341.24 g/mol
Exact Mass340.07
IUPAC Name1-cyclohexyl-3-(3,4-dichlorophenyl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(C2CCCCC2)C(=O)N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H18Cl2N2O2/c17-13-7-6-12(10-14(13)18)20-15(21)8-9-19(16(20)22)11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2
InChIKeyDLNGZANUYACPST-UHFFFAOYSA-N
XLogP4.48
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(3,4-dichlorophenyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-cyclohexyl-3-(3,4-dichlorophenyl)-1,3-diazinane-2,4-dione (CID 23321841) is 1-cyclohexyl-3-(3,4-dichlorophenyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-cyclohexyl-3-(3,4-dichlorophenyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-cyclohexyl-3-(3,4-dichlorophenyl)-1,3-diazinane-2,4-dione is O=C1CCN(C2CCCCC2)C(=O)N1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-cyclohexyl-3-(3,4-dichlorophenyl)-1,3-diazinane-2,4-dione?
The InChIKey is DLNGZANUYACPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O2/c17-13-7-6-12(10-14(13)18)20-15(21)8-9-19(16(20)22)11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2.
What are the key properties of 1-cyclohexyl-3-(3,4-dichlorophenyl)-1,3-diazinane-2,4-dione?
1-cyclohexyl-3-(3,4-dichlorophenyl)-1,3-diazinane-2,4-dione has a molecular weight of 341.24 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(3,4-dichlorophenyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 23321841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).