1,3-dibenzyl-1,3-diazetidine-2,4-dione

C16H14N2O2 — CID 10038543

IUPAC1,3-dibenzyl-1,3-diazetidine-2,4-dione
SMILESO=C1N(Cc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C16H14N2O2/c19-15-17(11-13-7-3-1-4-8-13)16(20)18(15)12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyPGIXYPNBNAOYHW-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.24
Rot. Bonds4

About 1,3-dibenzyl-1,3-diazetidine-2,4-dione

1,3-dibenzyl-1,3-diazetidine-2,4-dione (PubChem CID 10038543) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1,3-dibenzyl-1,3-diazetidine-2,4-dione.

Molecular Properties

Compound Name1,3-dibenzyl-1,3-diazetidine-2,4-dione
PubChem CID10038543
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name1,3-dibenzyl-1,3-diazetidine-2,4-dione
SMILESO=C1N(Cc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C16H14N2O2/c19-15-17(11-13-7-3-1-4-8-13)16(20)18(15)12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyPGIXYPNBNAOYHW-UHFFFAOYSA-N
XLogP3.24
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-1,3-diazetidine-2,4-dione?
The IUPAC name of 1,3-dibenzyl-1,3-diazetidine-2,4-dione (CID 10038543) is 1,3-dibenzyl-1,3-diazetidine-2,4-dione.
What is the SMILES notation for 1,3-dibenzyl-1,3-diazetidine-2,4-dione?
The canonical SMILES for 1,3-dibenzyl-1,3-diazetidine-2,4-dione is O=C1N(Cc2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 1,3-dibenzyl-1,3-diazetidine-2,4-dione?
The InChIKey is PGIXYPNBNAOYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-15-17(11-13-7-3-1-4-8-13)16(20)18(15)12-14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of 1,3-dibenzyl-1,3-diazetidine-2,4-dione?
1,3-dibenzyl-1,3-diazetidine-2,4-dione has a molecular weight of 266.30 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-1,3-diazetidine-2,4-dione is sourced from PubChem (CID 10038543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).