1-(5-bromo-2-chlorophenyl)-1,4-diazepane

C11H14BrClN2 — CID 64949592

IUPAC1-(5-bromo-2-chlorophenyl)-1,4-diazepane
SMILESClc1ccc(Br)cc1N1CCCNCC1
InChIInChI=1S/C11H14BrClN2/c12-9-2-3-10(13)11(8-9)15-6-1-4-14-5-7-15/h2-3,8,14H,1,4-7H2
InChIKeyZQYKKAHCSWXLNU-UHFFFAOYSA-N
MW289.60 g/mol
LogP2.90
Rot. Bonds1

About 1-(5-bromo-2-chlorophenyl)-1,4-diazepane

1-(5-bromo-2-chlorophenyl)-1,4-diazepane (PubChem CID 64949592) has the molecular formula C11H14BrClN2 and a molecular weight of 289.60 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-1,4-diazepane.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-1,4-diazepane
PubChem CID64949592
Molecular FormulaC11H14BrClN2
Molecular Weight289.60 g/mol
Exact Mass288.00
IUPAC Name1-(5-bromo-2-chlorophenyl)-1,4-diazepane
SMILESClc1ccc(Br)cc1N1CCCNCC1
InChIInChI=1S/C11H14BrClN2/c12-9-2-3-10(13)11(8-9)15-6-1-4-14-5-7-15/h2-3,8,14H,1,4-7H2
InChIKeyZQYKKAHCSWXLNU-UHFFFAOYSA-N
XLogP2.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.60
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromo-2-chlorophenyl)-1,4-diazepane 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

1-(5-bromo-2-methylphenyl)-1,4-diazepane
CID 64943208
1-(2-bromo-4-chlorophenyl)-1,4-diazepane
CID 81272279
1-(2-bromo-3-chlorophenyl)-1,4-diazepane
CID 103481679
1-(5-bromo-2-chlorophenyl)-3-cyclopropyl-3-methyl-1,4-diazepane
CID 64949392
1-(5-bromo-2-chlorophenyl)piperidin-4-one
CID 62915587
1-(2-chlorophenyl)piperazine;1-(2-chlorophenyl)piperidine;hydrochloride
CID 157420030
1-(2-chlorophenyl)piperazine
CID 162116490
1-[2-chloro-5-(trifluoromethyl)phenyl]piperazine
CID 3830901
1-(2-chloro-5-methoxyphenyl)piperazine
CID 18663028
1-(2-chlorophenyl)piperazine;dihydrochloride
CID 3018683
1-(5-bromo-2-chlorophenyl)-3-methyl-3-phenylpiperazine
CID 64952590
10-(4-bromo-2-chlorophenyl)-6,10-diazaspiro[4.6]undecane
CID 64943983

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-1,4-diazepane?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-1,4-diazepane (CID 64949592) is 1-(5-bromo-2-chlorophenyl)-1,4-diazepane.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-1,4-diazepane?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-1,4-diazepane is Clc1ccc(Br)cc1N1CCCNCC1.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-1,4-diazepane?
The InChIKey is ZQYKKAHCSWXLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2/c12-9-2-3-10(13)11(8-9)15-6-1-4-14-5-7-15/h2-3,8,14H,1,4-7H2.
What are the key properties of 1-(5-bromo-2-chlorophenyl)-1,4-diazepane?
1-(5-bromo-2-chlorophenyl)-1,4-diazepane has a molecular weight of 289.60 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorophenyl)-1,4-diazepane is sourced from PubChem (CID 64949592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).