1-(2-bromophenyl)-1,4-diazepane-2,5-dione

C11H11BrN2O2 — CID 64962319

IUPAC1-(2-bromophenyl)-1,4-diazepane-2,5-dione
SMILESO=C1CCN(c2ccccc2Br)C(=O)CN1
InChIInChI=1S/C11H11BrN2O2/c12-8-3-1-2-4-9(8)14-6-5-10(15)13-7-11(14)16/h1-4H,5-7H2,(H,13,15)
InChIKeyFWVRHXCPBVPLJC-UHFFFAOYSA-N
MW283.12 g/mol
LogP1.30
Rot. Bonds1

About 1-(2-bromophenyl)-1,4-diazepane-2,5-dione

1-(2-bromophenyl)-1,4-diazepane-2,5-dione (PubChem CID 64962319) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 1-(2-bromophenyl)-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-(2-bromophenyl)-1,4-diazepane-2,5-dione
PubChem CID64962319
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name1-(2-bromophenyl)-1,4-diazepane-2,5-dione
SMILESO=C1CCN(c2ccccc2Br)C(=O)CN1
InChIInChI=1S/C11H11BrN2O2/c12-8-3-1-2-4-9(8)14-6-5-10(15)13-7-11(14)16/h1-4H,5-7H2,(H,13,15)
InChIKeyFWVRHXCPBVPLJC-UHFFFAOYSA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-1,4-diazepane-2,5-dione?
The IUPAC name of 1-(2-bromophenyl)-1,4-diazepane-2,5-dione (CID 64962319) is 1-(2-bromophenyl)-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-(2-bromophenyl)-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-(2-bromophenyl)-1,4-diazepane-2,5-dione is O=C1CCN(c2ccccc2Br)C(=O)CN1.
What is the InChIKey of 1-(2-bromophenyl)-1,4-diazepane-2,5-dione?
The InChIKey is FWVRHXCPBVPLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c12-8-3-1-2-4-9(8)14-6-5-10(15)13-7-11(14)16/h1-4H,5-7H2,(H,13,15).
What are the key properties of 1-(2-bromophenyl)-1,4-diazepane-2,5-dione?
1-(2-bromophenyl)-1,4-diazepane-2,5-dione has a molecular weight of 283.12 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64962319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).