4-(2,5-dibromobenzoyl)-1,4-diazepan-2-one

C12H12Br2N2O2 — CID 114372478

IUPAC4-(2,5-dibromobenzoyl)-1,4-diazepan-2-one
SMILESO=C1CN(C(=O)c2cc(Br)ccc2Br)CCCN1
InChIInChI=1S/C12H12Br2N2O2/c13-8-2-3-10(14)9(6-8)12(18)16-5-1-4-15-11(17)7-16/h2-3,6H,1,4-5,7H2,(H,15,17)
InChIKeyPQSAWIZAUCPOOO-UHFFFAOYSA-N
MW376.05 g/mol
LogP2.17
Rot. Bonds1

About 4-(2,5-dibromobenzoyl)-1,4-diazepan-2-one

4-(2,5-dibromobenzoyl)-1,4-diazepan-2-one (PubChem CID 114372478) has the molecular formula C12H12Br2N2O2 and a molecular weight of 376.05 g/mol. Its IUPAC name is 4-(2,5-dibromobenzoyl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(2,5-dibromobenzoyl)-1,4-diazepan-2-one
PubChem CID114372478
Molecular FormulaC12H12Br2N2O2
Molecular Weight376.05 g/mol
Exact Mass373.93
IUPAC Name4-(2,5-dibromobenzoyl)-1,4-diazepan-2-one
SMILESO=C1CN(C(=O)c2cc(Br)ccc2Br)CCCN1
InChIInChI=1S/C12H12Br2N2O2/c13-8-2-3-10(14)9(6-8)12(18)16-5-1-4-15-11(17)7-16/h2-3,6H,1,4-5,7H2,(H,15,17)
InChIKeyPQSAWIZAUCPOOO-UHFFFAOYSA-N
XLogP2.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.05
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2,5-dibromobenzoyl)-1,4-diazepan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-bromobenzoyl)-1,4-diazepan-2-one
CID 62896483
4-(4-bromo-2-fluorobenzoyl)piperazin-2-one
CID 24701148
4-(3-bromo-5-methylbenzoyl)-1,4-diazepan-2-one
CID 113460792
4-(2-amino-4-chlorobenzoyl)-1,4-diazepan-2-one
CID 65360971
4-(2,6-dimethylbenzoyl)-1,4-diazepan-2-one
CID 113258340
4-(2,4,6-trimethylbenzoyl)-1,4-diazepan-2-one
CID 65361106
4-(2,6-dichloropyridine-3-carbonyl)-1,4-diazepan-2-one
CID 106994002
4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one
CID 113230147
4-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)-1,4-diazepan-2-one
CID 65361591
4-(3,4-dimethylbenzoyl)-1,4-diazepan-2-one
CID 62896266
4-(2-acetyl-4-bromophenyl)-1,4-diazepan-2-one
CID 82966585
1-(5-amino-2-bromobenzoyl)-1,4-diazepan-5-one
CID 63004090

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dibromobenzoyl)-1,4-diazepan-2-one?
The IUPAC name of 4-(2,5-dibromobenzoyl)-1,4-diazepan-2-one (CID 114372478) is 4-(2,5-dibromobenzoyl)-1,4-diazepan-2-one.
What is the SMILES notation for 4-(2,5-dibromobenzoyl)-1,4-diazepan-2-one?
The canonical SMILES for 4-(2,5-dibromobenzoyl)-1,4-diazepan-2-one is O=C1CN(C(=O)c2cc(Br)ccc2Br)CCCN1.
What is the InChIKey of 4-(2,5-dibromobenzoyl)-1,4-diazepan-2-one?
The InChIKey is PQSAWIZAUCPOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2N2O2/c13-8-2-3-10(14)9(6-8)12(18)16-5-1-4-15-11(17)7-16/h2-3,6H,1,4-5,7H2,(H,15,17).
What are the key properties of 4-(2,5-dibromobenzoyl)-1,4-diazepan-2-one?
4-(2,5-dibromobenzoyl)-1,4-diazepan-2-one has a molecular weight of 376.05 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dibromobenzoyl)-1,4-diazepan-2-one is sourced from PubChem (CID 114372478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).