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

C11H11BrN2O2 — CID 23321830

IUPAC3-(4-bromophenyl)-1-methyl-1,3-diazinane-2,4-dione
SMILESCN1CCC(=O)N(c2ccc(Br)cc2)C1=O
InChIInChI=1S/C11H11BrN2O2/c1-13-7-6-10(15)14(11(13)16)9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3
InChIKeyTYDSHFFHPBHFND-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.24
Rot. Bonds1

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

3-(4-bromophenyl)-1-methyl-1,3-diazinane-2,4-dione (PubChem CID 23321830) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-methyl-1,3-diazinane-2,4-dione
PubChem CID23321830
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name3-(4-bromophenyl)-1-methyl-1,3-diazinane-2,4-dione
SMILESCN1CCC(=O)N(c2ccc(Br)cc2)C1=O
InChIInChI=1S/C11H11BrN2O2/c1-13-7-6-10(15)14(11(13)16)9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3
InChIKeyTYDSHFFHPBHFND-UHFFFAOYSA-N
XLogP2.24
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of 3-(4-bromophenyl)-1-methyl-1,3-diazinane-2,4-dione (CID 23321830) is 3-(4-bromophenyl)-1-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-(4-bromophenyl)-1-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-(4-bromophenyl)-1-methyl-1,3-diazinane-2,4-dione is CN1CCC(=O)N(c2ccc(Br)cc2)C1=O.
What is the InChIKey of 3-(4-bromophenyl)-1-methyl-1,3-diazinane-2,4-dione?
The InChIKey is TYDSHFFHPBHFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-13-7-6-10(15)14(11(13)16)9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3.
What are the key properties of 3-(4-bromophenyl)-1-methyl-1,3-diazinane-2,4-dione?
3-(4-bromophenyl)-1-methyl-1,3-diazinane-2,4-dione has a molecular weight of 283.12 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 23321830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).