[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-bromo-2-chlorophenyl)ethyl]hydrazine

C16H16BrClN2 — CID 105224772

IUPAC[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-bromo-2-chlorophenyl)ethyl]hydrazine
SMILESNNC(Cc1ccc(Br)cc1Cl)C1Cc2ccccc21
InChIInChI=1S/C16H16BrClN2/c17-12-6-5-11(15(18)9-12)8-16(20-19)14-7-10-3-1-2-4-13(10)14/h1-6,9,14,16,20H,7-8,19H2
InChIKeyZRMRAIJVVGEEDY-UHFFFAOYSA-N
MW351.68 g/mol
LogP3.82
Rot. Bonds4

About [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-bromo-2-chlorophenyl)ethyl]hydrazine

[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-bromo-2-chlorophenyl)ethyl]hydrazine (PubChem CID 105224772) has the molecular formula C16H16BrClN2 and a molecular weight of 351.68 g/mol. Its IUPAC name is [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-bromo-2-chlorophenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-bromo-2-chlorophenyl)ethyl]hydrazine
PubChem CID105224772
Molecular FormulaC16H16BrClN2
Molecular Weight351.68 g/mol
Exact Mass350.02
IUPAC Name[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-bromo-2-chlorophenyl)ethyl]hydrazine
SMILESNNC(Cc1ccc(Br)cc1Cl)C1Cc2ccccc21
InChIInChI=1S/C16H16BrClN2/c17-12-6-5-11(15(18)9-12)8-16(20-19)14-7-10-3-1-2-4-13(10)14/h1-6,9,14,16,20H,7-8,19H2
InChIKeyZRMRAIJVVGEEDY-UHFFFAOYSA-N
XLogP3.82
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.68
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,4-dichlorophenyl)ethyl]hydrazine
CID 105224818
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine
CID 105224610
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(5-bromo-2-methoxyphenyl)ethyl]hydrazine
CID 105224760
[2-(4-bromo-2-chlorophenyl)-1-(2-phenylcyclopropyl)ethyl]hydrazine
CID 105335247
[2-(4-bromo-2-chlorophenyl)-1-cyclobutylethyl]hydrazine
CID 105224466
[2-(4-bromo-2-chlorophenyl)-1-cyclohexylethyl]hydrazine
CID 105201861
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-methylphenyl)ethyl]hydrazine
CID 105224803
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105224757
[2-(4-bromo-2-chlorophenyl)-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine
CID 105231757
[2-(4-bromo-2-chlorophenyl)-1-(thiolan-2-yl)ethyl]hydrazine
CID 105255480
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-bromo-1,3-dimethylpyrazol-5-yl)ethyl]hydrazine
CID 105224704
[2-(2,5-dichlorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethyl]hydrazine
CID 105234516

Frequently Asked Questions

What is the IUPAC name of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-bromo-2-chlorophenyl)ethyl]hydrazine?
The IUPAC name of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-bromo-2-chlorophenyl)ethyl]hydrazine (CID 105224772) is [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-bromo-2-chlorophenyl)ethyl]hydrazine.
What is the SMILES notation for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-bromo-2-chlorophenyl)ethyl]hydrazine?
The canonical SMILES for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-bromo-2-chlorophenyl)ethyl]hydrazine is NNC(Cc1ccc(Br)cc1Cl)C1Cc2ccccc21.
What is the InChIKey of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-bromo-2-chlorophenyl)ethyl]hydrazine?
The InChIKey is ZRMRAIJVVGEEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2/c17-12-6-5-11(15(18)9-12)8-16(20-19)14-7-10-3-1-2-4-13(10)14/h1-6,9,14,16,20H,7-8,19H2.
What are the key properties of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-bromo-2-chlorophenyl)ethyl]hydrazine?
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-bromo-2-chlorophenyl)ethyl]hydrazine has a molecular weight of 351.68 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-bromo-2-chlorophenyl)ethyl]hydrazine is sourced from PubChem (CID 105224772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).