[(5-bromo-2-fluorophenyl)-(4-chloro-2-methoxyphenyl)methyl]hydrazine

C14H13BrClFN2O — CID 105323198

IUPAC[(5-bromo-2-fluorophenyl)-(4-chloro-2-methoxyphenyl)methyl]hydrazine
SMILESCOc1cc(Cl)ccc1C(NN)c1cc(Br)ccc1F
InChIInChI=1S/C14H13BrClFN2O/c1-20-13-7-9(16)3-4-10(13)14(19-18)11-6-8(15)2-5-12(11)17/h2-7,14,19H,18H2,1H3
InChIKeyYDVMIWHKGILOJB-UHFFFAOYSA-N
MW359.63 g/mol
LogP3.80
Rot. Bonds4

About [(5-bromo-2-fluorophenyl)-(4-chloro-2-methoxyphenyl)methyl]hydrazine

[(5-bromo-2-fluorophenyl)-(4-chloro-2-methoxyphenyl)methyl]hydrazine (PubChem CID 105323198) has the molecular formula C14H13BrClFN2O and a molecular weight of 359.63 g/mol. Its IUPAC name is [(5-bromo-2-fluorophenyl)-(4-chloro-2-methoxyphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-bromo-2-fluorophenyl)-(4-chloro-2-methoxyphenyl)methyl]hydrazine
PubChem CID105323198
Molecular FormulaC14H13BrClFN2O
Molecular Weight359.63 g/mol
Exact Mass357.99
IUPAC Name[(5-bromo-2-fluorophenyl)-(4-chloro-2-methoxyphenyl)methyl]hydrazine
SMILESCOc1cc(Cl)ccc1C(NN)c1cc(Br)ccc1F
InChIInChI=1S/C14H13BrClFN2O/c1-20-13-7-9(16)3-4-10(13)14(19-18)11-6-8(15)2-5-12(11)17/h2-7,14,19H,18H2,1H3
InChIKeyYDVMIWHKGILOJB-UHFFFAOYSA-N
XLogP3.80
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.63
LogP ≤ 53.80
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 [(5-bromo-2-fluorophenyl)-(4-chloro-2-methoxyphenyl)methyl]hydrazine?
The IUPAC name of [(5-bromo-2-fluorophenyl)-(4-chloro-2-methoxyphenyl)methyl]hydrazine (CID 105323198) is [(5-bromo-2-fluorophenyl)-(4-chloro-2-methoxyphenyl)methyl]hydrazine.
What is the SMILES notation for [(5-bromo-2-fluorophenyl)-(4-chloro-2-methoxyphenyl)methyl]hydrazine?
The canonical SMILES for [(5-bromo-2-fluorophenyl)-(4-chloro-2-methoxyphenyl)methyl]hydrazine is COc1cc(Cl)ccc1C(NN)c1cc(Br)ccc1F.
What is the InChIKey of [(5-bromo-2-fluorophenyl)-(4-chloro-2-methoxyphenyl)methyl]hydrazine?
The InChIKey is YDVMIWHKGILOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClFN2O/c1-20-13-7-9(16)3-4-10(13)14(19-18)11-6-8(15)2-5-12(11)17/h2-7,14,19H,18H2,1H3.
What are the key properties of [(5-bromo-2-fluorophenyl)-(4-chloro-2-methoxyphenyl)methyl]hydrazine?
[(5-bromo-2-fluorophenyl)-(4-chloro-2-methoxyphenyl)methyl]hydrazine has a molecular weight of 359.63 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-bromo-2-fluorophenyl)-(4-chloro-2-methoxyphenyl)methyl]hydrazine is sourced from PubChem (CID 105323198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).