5-[2-(4-bromophenoxy)phenyl]-1,3-diazinane-2,4,6-trione

C16H11BrN2O4 — CID 134952976

IUPAC5-[2-(4-bromophenoxy)phenyl]-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(c2ccccc2Oc2ccc(Br)cc2)C(=O)N1
InChIInChI=1S/C16H11BrN2O4/c17-9-5-7-10(8-6-9)23-12-4-2-1-3-11(12)13-14(20)18-16(22)19-15(13)21/h1-8,13H,(H2,18,19,20,21,22)
InChIKeySZXOSSLWRFGTCA-UHFFFAOYSA-N
MW375.18 g/mol
LogP2.69
Rot. Bonds3

About 5-[2-(4-bromophenoxy)phenyl]-1,3-diazinane-2,4,6-trione

5-[2-(4-bromophenoxy)phenyl]-1,3-diazinane-2,4,6-trione (PubChem CID 134952976) has the molecular formula C16H11BrN2O4 and a molecular weight of 375.18 g/mol. Its IUPAC name is 5-[2-(4-bromophenoxy)phenyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[2-(4-bromophenoxy)phenyl]-1,3-diazinane-2,4,6-trione
PubChem CID134952976
Molecular FormulaC16H11BrN2O4
Molecular Weight375.18 g/mol
Exact Mass373.99
IUPAC Name5-[2-(4-bromophenoxy)phenyl]-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(c2ccccc2Oc2ccc(Br)cc2)C(=O)N1
InChIInChI=1S/C16H11BrN2O4/c17-9-5-7-10(8-6-9)23-12-4-2-1-3-11(12)13-14(20)18-16(22)19-15(13)21/h1-8,13H,(H2,18,19,20,21,22)
InChIKeySZXOSSLWRFGTCA-UHFFFAOYSA-N
XLogP2.69
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.18
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 67931396
2-(4-bromophenoxy)benzenecarbothioamide
CID 28602302
1-bromo-4-(2-chlorophenoxy)benzene
CID 21454528
2-(4-bromophenoxy)benzaldehyde
CID 28604058
ethyl 2-(4-bromophenoxy)benzoate
CID 23464800
5-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]-1,3-diazinane-2,4,6-trione
CID 24945331
1-bromo-4-(4-bromophenoxy)benzene
CID 16305
1,2-dibromo-3-(4-bromophenoxy)benzene
CID 86208485
CID 174042192
CID 174042192
1-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]-2-[4-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylbenzene
CID 20521157
1-bromo-2-(4-fluorophenoxy)benzene
CID 18423530
5-[(4-bromophenyl)-(naphthalen-2-ylamino)methyl]-1,3-diazinane-2,4,6-trione
CID 21231606

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-bromophenoxy)phenyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[2-(4-bromophenoxy)phenyl]-1,3-diazinane-2,4,6-trione (CID 134952976) is 5-[2-(4-bromophenoxy)phenyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[2-(4-bromophenoxy)phenyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[2-(4-bromophenoxy)phenyl]-1,3-diazinane-2,4,6-trione is O=C1NC(=O)C(c2ccccc2Oc2ccc(Br)cc2)C(=O)N1.
What is the InChIKey of 5-[2-(4-bromophenoxy)phenyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is SZXOSSLWRFGTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O4/c17-9-5-7-10(8-6-9)23-12-4-2-1-3-11(12)13-14(20)18-16(22)19-15(13)21/h1-8,13H,(H2,18,19,20,21,22).
What are the key properties of 5-[2-(4-bromophenoxy)phenyl]-1,3-diazinane-2,4,6-trione?
5-[2-(4-bromophenoxy)phenyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 375.18 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-bromophenoxy)phenyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 134952976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).