1-(3-fluoro-4-phenoxyphenyl)-1,3-diazinane-2,4-dione

C16H13FN2O3 — CID 162507506

IUPAC1-(3-fluoro-4-phenoxyphenyl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccc(Oc3ccccc3)c(F)c2)C(=O)N1
InChIInChI=1S/C16H13FN2O3/c17-13-10-11(19-9-8-15(20)18-16(19)21)6-7-14(13)22-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,18,20,21)
InChIKeyILDYRDUFZCLPPZ-UHFFFAOYSA-N
MW300.29 g/mol
LogP3.06
Rot. Bonds3

About 1-(3-fluoro-4-phenoxyphenyl)-1,3-diazinane-2,4-dione

1-(3-fluoro-4-phenoxyphenyl)-1,3-diazinane-2,4-dione (PubChem CID 162507506) has the molecular formula C16H13FN2O3 and a molecular weight of 300.29 g/mol. Its IUPAC name is 1-(3-fluoro-4-phenoxyphenyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(3-fluoro-4-phenoxyphenyl)-1,3-diazinane-2,4-dione
PubChem CID162507506
Molecular FormulaC16H13FN2O3
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC Name1-(3-fluoro-4-phenoxyphenyl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccc(Oc3ccccc3)c(F)c2)C(=O)N1
InChIInChI=1S/C16H13FN2O3/c17-13-10-11(19-9-8-15(20)18-16(19)21)6-7-14(13)22-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,18,20,21)
InChIKeyILDYRDUFZCLPPZ-UHFFFAOYSA-N
XLogP3.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-phenoxyphenyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(3-fluoro-4-phenoxyphenyl)-1,3-diazinane-2,4-dione (CID 162507506) is 1-(3-fluoro-4-phenoxyphenyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(3-fluoro-4-phenoxyphenyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(3-fluoro-4-phenoxyphenyl)-1,3-diazinane-2,4-dione is O=C1CCN(c2ccc(Oc3ccccc3)c(F)c2)C(=O)N1.
What is the InChIKey of 1-(3-fluoro-4-phenoxyphenyl)-1,3-diazinane-2,4-dione?
The InChIKey is ILDYRDUFZCLPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3/c17-13-10-11(19-9-8-15(20)18-16(19)21)6-7-14(13)22-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,18,20,21).
What are the key properties of 1-(3-fluoro-4-phenoxyphenyl)-1,3-diazinane-2,4-dione?
1-(3-fluoro-4-phenoxyphenyl)-1,3-diazinane-2,4-dione has a molecular weight of 300.29 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-phenoxyphenyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 162507506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).