[(4-bromo-3-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine

C16H14BrClN2O — CID 105338291

IUPAC[(4-bromo-3-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
SMILESCc1ccc2oc(C(NN)c3ccc(Br)c(Cl)c3)cc2c1
InChIInChI=1S/C16H14BrClN2O/c1-9-2-5-14-11(6-9)8-15(21-14)16(20-19)10-3-4-12(17)13(18)7-10/h2-8,16,20H,19H2,1H3
InChIKeyOBSIRYCJOKKIBF-UHFFFAOYSA-N
MW365.66 g/mol
LogP4.71
Rot. Bonds3

About [(4-bromo-3-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine

[(4-bromo-3-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine (PubChem CID 105338291) has the molecular formula C16H14BrClN2O and a molecular weight of 365.66 g/mol. Its IUPAC name is [(4-bromo-3-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-3-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
PubChem CID105338291
Molecular FormulaC16H14BrClN2O
Molecular Weight365.66 g/mol
Exact Mass364.00
IUPAC Name[(4-bromo-3-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
SMILESCc1ccc2oc(C(NN)c3ccc(Br)c(Cl)c3)cc2c1
InChIInChI=1S/C16H14BrClN2O/c1-9-2-5-14-11(6-9)8-15(21-14)16(20-19)10-3-4-12(17)13(18)7-10/h2-8,16,20H,19H2,1H3
InChIKeyOBSIRYCJOKKIBF-UHFFFAOYSA-N
XLogP4.71
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.66
LogP ≤ 54.71
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-benzofuran-2-yl-(4-bromo-3-chlorophenyl)methyl]hydrazine
CID 105337790
[(3-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105194545
[(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-methylphenyl)methyl]hydrazine
CID 105338541
[(3-bromo-4-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105261142
[(4-bromothiophen-3-yl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105322592
[(5-methyl-1-benzofuran-2-yl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105313231
[(2,5-dichlorothiophen-3-yl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 107970618
[1-benzofuran-2-yl-(3-bromo-4-methylphenyl)methyl]hydrazine
CID 105337744
1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 114727660
[(2-bromo-4-methylphenyl)-(3,4-dichlorophenyl)methyl]hydrazine
CID 105281300
[(5-methyl-1-benzofuran-2-yl)-pyrimidin-2-ylmethyl]hydrazine
CID 105203566
[(4-chloro-3-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 107997332

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-3-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine?
The IUPAC name of [(4-bromo-3-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine (CID 105338291) is [(4-bromo-3-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-3-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-3-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine is Cc1ccc2oc(C(NN)c3ccc(Br)c(Cl)c3)cc2c1.
What is the InChIKey of [(4-bromo-3-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine?
The InChIKey is OBSIRYCJOKKIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O/c1-9-2-5-14-11(6-9)8-15(21-14)16(20-19)10-3-4-12(17)13(18)7-10/h2-8,16,20H,19H2,1H3.
What are the key properties of [(4-bromo-3-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine?
[(4-bromo-3-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine has a molecular weight of 365.66 g/mol, XLogP of 4.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-3-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine is sourced from PubChem (CID 105338291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).