[(3-bromo-5-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine

C14H13BrClFN2O — CID 107948201

IUPAC[(3-bromo-5-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
SMILESCOc1ccc(C(NN)c2cc(Cl)cc(Br)c2)cc1F
InChIInChI=1S/C14H13BrClFN2O/c1-20-13-3-2-8(6-12(13)17)14(19-18)9-4-10(15)7-11(16)5-9/h2-7,14,19H,18H2,1H3
InChIKeyZKXTWOUYNZCURN-UHFFFAOYSA-N
MW359.63 g/mol
LogP3.80
Rot. Bonds4

About [(3-bromo-5-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine

[(3-bromo-5-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine (PubChem CID 107948201) has the molecular formula C14H13BrClFN2O and a molecular weight of 359.63 g/mol. Its IUPAC name is [(3-bromo-5-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-5-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
PubChem CID107948201
Molecular FormulaC14H13BrClFN2O
Molecular Weight359.63 g/mol
Exact Mass357.99
IUPAC Name[(3-bromo-5-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
SMILESCOc1ccc(C(NN)c2cc(Cl)cc(Br)c2)cc1F
InChIInChI=1S/C14H13BrClFN2O/c1-20-13-3-2-8(6-12(13)17)14(19-18)9-4-10(15)7-11(16)5-9/h2-7,14,19H,18H2,1H3
InChIKeyZKXTWOUYNZCURN-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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Related Compounds

1-bromo-3-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-5-chlorobenzene
CID 107958819
[(3-bromo-5-chlorophenyl)-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 107948189
[(3,5-dibromophenyl)-(3,4-dimethoxyphenyl)methyl]hydrazine
CID 107979050
[(3-bromo-5-chlorophenyl)-(2,5-dimethoxyphenyl)methyl]hydrazine
CID 107948215
[(5-chlorofuran-2-yl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 106694382
[(3-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methyl]hydrazine
CID 105328437
[(3-bromo-5-chlorophenyl)-(4-chloro-2-fluorophenyl)methyl]hydrazine
CID 107948431
[(3-bromo-5-methylphenyl)-(4-chloro-3-methoxyphenyl)methyl]hydrazine
CID 105320733
[(5-chlorothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 105303967
[(3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methyl]hydrazine
CID 107948244
[(4-chlorophenyl)-(3,5-dibromophenyl)methyl]hydrazine
CID 107978840
[(4-chloro-2-fluorophenyl)-(3,4-dimethoxyphenyl)methyl]hydrazine
CID 105192213

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-5-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine?
The IUPAC name of [(3-bromo-5-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine (CID 107948201) is [(3-bromo-5-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine.
What is the SMILES notation for [(3-bromo-5-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine?
The canonical SMILES for [(3-bromo-5-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine is COc1ccc(C(NN)c2cc(Cl)cc(Br)c2)cc1F.
What is the InChIKey of [(3-bromo-5-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine?
The InChIKey is ZKXTWOUYNZCURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClFN2O/c1-20-13-3-2-8(6-12(13)17)14(19-18)9-4-10(15)7-11(16)5-9/h2-7,14,19H,18H2,1H3.
What are the key properties of [(3-bromo-5-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine?
[(3-bromo-5-chlorophenyl)-(3-fluoro-4-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 [(3-bromo-5-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine is sourced from PubChem (CID 107948201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).