1-[(2-chlorophenyl)methyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione

C15H17ClN2O3 — CID 115946288

IUPAC1-[(2-chlorophenyl)methyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)NC(=O)N(Cc2ccccc2Cl)C1=O
InChIInChI=1S/C15H17ClN2O3/c1-3-15(4-2)12(19)17-14(21)18(13(15)20)9-10-7-5-6-8-11(10)16/h5-8H,3-4,9H2,1-2H3,(H,17,19,21)
InChIKeyKCQZTXRMPWGKPJ-UHFFFAOYSA-N
MW308.76 g/mol
LogP2.72
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione

1-[(2-chlorophenyl)methyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione (PubChem CID 115946288) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.76 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione
PubChem CID115946288
Molecular FormulaC15H17ClN2O3
Molecular Weight308.76 g/mol
Exact Mass308.09
IUPAC Name1-[(2-chlorophenyl)methyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)NC(=O)N(Cc2ccccc2Cl)C1=O
InChIInChI=1S/C15H17ClN2O3/c1-3-15(4-2)12(19)17-14(21)18(13(15)20)9-10-7-5-6-8-11(10)16/h5-8H,3-4,9H2,1-2H3,(H,17,19,21)
InChIKeyKCQZTXRMPWGKPJ-UHFFFAOYSA-N
XLogP2.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione (CID 115946288) is 1-[(2-chlorophenyl)methyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione is CCC1(CC)C(=O)NC(=O)N(Cc2ccccc2Cl)C1=O.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is KCQZTXRMPWGKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-3-15(4-2)12(19)17-14(21)18(13(15)20)9-10-7-5-6-8-11(10)16/h5-8H,3-4,9H2,1-2H3,(H,17,19,21).
What are the key properties of 1-[(2-chlorophenyl)methyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione?
1-[(2-chlorophenyl)methyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 308.76 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 115946288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).