[2-(3-bromo-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine

C15H15BrF2N2O — CID 105324861

IUPAC[2-(3-bromo-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
SMILESCOc1ccc(C(Cc2cc(F)cc(Br)c2)NN)cc1F
InChIInChI=1S/C15H15BrF2N2O/c1-21-15-3-2-10(7-13(15)18)14(20-19)6-9-4-11(16)8-12(17)5-9/h2-5,7-8,14,20H,6,19H2,1H3
InChIKeyVANJIIAORCYPEV-UHFFFAOYSA-N
MW357.20 g/mol
LogP3.48
Rot. Bonds5

About [2-(3-bromo-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine

[2-(3-bromo-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine (PubChem CID 105324861) has the molecular formula C15H15BrF2N2O and a molecular weight of 357.20 g/mol. Its IUPAC name is [2-(3-bromo-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-bromo-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
PubChem CID105324861
Molecular FormulaC15H15BrF2N2O
Molecular Weight357.20 g/mol
Exact Mass356.03
IUPAC Name[2-(3-bromo-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
SMILESCOc1ccc(C(Cc2cc(F)cc(Br)c2)NN)cc1F
InChIInChI=1S/C15H15BrF2N2O/c1-21-15-3-2-10(7-13(15)18)14(20-19)6-9-4-11(16)8-12(17)5-9/h2-5,7-8,14,20H,6,19H2,1H3
InChIKeyVANJIIAORCYPEV-UHFFFAOYSA-N
XLogP3.48
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine?
The IUPAC name of [2-(3-bromo-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine (CID 105324861) is [2-(3-bromo-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-bromo-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine?
The canonical SMILES for [2-(3-bromo-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine is COc1ccc(C(Cc2cc(F)cc(Br)c2)NN)cc1F.
What is the InChIKey of [2-(3-bromo-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine?
The InChIKey is VANJIIAORCYPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrF2N2O/c1-21-15-3-2-10(7-13(15)18)14(20-19)6-9-4-11(16)8-12(17)5-9/h2-5,7-8,14,20H,6,19H2,1H3.
What are the key properties of [2-(3-bromo-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine?
[2-(3-bromo-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine has a molecular weight of 357.20 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromo-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine is sourced from PubChem (CID 105324861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).