1-[(2-bromophenyl)methyl]-1,3-diazinane-2,4-dione

C11H11BrN2O2 — CID 76907862

IUPAC1-[(2-bromophenyl)methyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(Cc2ccccc2Br)C(=O)N1
InChIInChI=1S/C11H11BrN2O2/c12-9-4-2-1-3-8(9)7-14-6-5-10(15)13-11(14)16/h1-4H,5-7H2,(H,13,15,16)
InChIKeyFGZUEAIXHKLWFW-UHFFFAOYSA-N
MW283.12 g/mol
LogP1.89
Rot. Bonds2

About 1-[(2-bromophenyl)methyl]-1,3-diazinane-2,4-dione

1-[(2-bromophenyl)methyl]-1,3-diazinane-2,4-dione (PubChem CID 76907862) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-1,3-diazinane-2,4-dione
PubChem CID76907862
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name1-[(2-bromophenyl)methyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(Cc2ccccc2Br)C(=O)N1
InChIInChI=1S/C11H11BrN2O2/c12-9-4-2-1-3-8(9)7-14-6-5-10(15)13-11(14)16/h1-4H,5-7H2,(H,13,15,16)
InChIKeyFGZUEAIXHKLWFW-UHFFFAOYSA-N
XLogP1.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-bromophenyl)methyl]-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 64884573
1-[(2-bromophenyl)methyl]-3-ethyl-3-methyl-1,4-diazepane-2,5-dione
CID 64881928
1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione
CID 174356600
1-[2-(2-fluorophenyl)ethyl]-1,3-diazinane-2,4-dione
CID 79778174
1-[(2,6-difluorophenyl)methyl]-1,3-diazinane-2,4-dione
CID 85448287
1-[(3-ethyl-2-pyridinyl)methyl]-1,3-diazinane-2,4-dione
CID 82744396
1-[(4-bromothiophen-2-yl)methyl]-1,3-diazinane-2,4-dione
CID 76918781
1-[(2-bromophenyl)methyl]-3-cyclopropylpiperazine-2,5-dione
CID 64879430
1-[(3-aminophenyl)methyl]-1,3-diazinane-2,4-dione
CID 74849531
1-[(2-bromophenyl)methyl]-4-phenylpiperazine-2,3-dione
CID 10808383
2-[4-[(2,4-dioxo-1,3-diazinan-1-yl)methyl]phenyl]acetaldehyde
CID 166947635
1-[(2-bromophenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64881106

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[(2-bromophenyl)methyl]-1,3-diazinane-2,4-dione (CID 76907862) is 1-[(2-bromophenyl)methyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-1,3-diazinane-2,4-dione is O=C1CCN(Cc2ccccc2Br)C(=O)N1.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-1,3-diazinane-2,4-dione?
The InChIKey is FGZUEAIXHKLWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c12-9-4-2-1-3-8(9)7-14-6-5-10(15)13-11(14)16/h1-4H,5-7H2,(H,13,15,16).
What are the key properties of 1-[(2-bromophenyl)methyl]-1,3-diazinane-2,4-dione?
1-[(2-bromophenyl)methyl]-1,3-diazinane-2,4-dione has a molecular weight of 283.12 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 76907862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).