[(2-bromo-3-methylphenyl)-(7-chloro-1-benzofuran-2-yl)methyl]hydrazine

C16H14BrClN2O — CID 107986198

IUPAC[(2-bromo-3-methylphenyl)-(7-chloro-1-benzofuran-2-yl)methyl]hydrazine
SMILESCc1cccc(C(NN)c2cc3cccc(Cl)c3o2)c1Br
InChIInChI=1S/C16H14BrClN2O/c1-9-4-2-6-11(14(9)17)15(20-19)13-8-10-5-3-7-12(18)16(10)21-13/h2-8,15,20H,19H2,1H3
InChIKeyGUISHKBLJWMWKT-UHFFFAOYSA-N
MW365.66 g/mol
LogP4.71
Rot. Bonds3

About [(2-bromo-3-methylphenyl)-(7-chloro-1-benzofuran-2-yl)methyl]hydrazine

[(2-bromo-3-methylphenyl)-(7-chloro-1-benzofuran-2-yl)methyl]hydrazine (PubChem CID 107986198) has the molecular formula C16H14BrClN2O and a molecular weight of 365.66 g/mol. Its IUPAC name is [(2-bromo-3-methylphenyl)-(7-chloro-1-benzofuran-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-bromo-3-methylphenyl)-(7-chloro-1-benzofuran-2-yl)methyl]hydrazine
PubChem CID107986198
Molecular FormulaC16H14BrClN2O
Molecular Weight365.66 g/mol
Exact Mass364.00
IUPAC Name[(2-bromo-3-methylphenyl)-(7-chloro-1-benzofuran-2-yl)methyl]hydrazine
SMILESCc1cccc(C(NN)c2cc3cccc(Cl)c3o2)c1Br
InChIInChI=1S/C16H14BrClN2O/c1-9-4-2-6-11(14(9)17)15(20-19)13-8-10-5-3-7-12(18)16(10)21-13/h2-8,15,20H,19H2,1H3
InChIKeyGUISHKBLJWMWKT-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

[(7-chloro-1-benzofuran-2-yl)-(3-chloro-2-methylphenyl)methyl]hydrazine
CID 107103839
[(3-bromo-2-chlorophenyl)-(7-chloro-1-benzofuran-2-yl)methyl]hydrazine
CID 105339723
[(7-chloro-1-benzofuran-2-yl)-(4-fluoro-2-methylphenyl)methyl]hydrazine
CID 105256705
[(7-chloro-1-benzofuran-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105339711
1-(7-chloro-1-benzofuran-2-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105048530
[(7-chloro-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methyl]hydrazine
CID 106756721
1-(4-bromo-3-methylphenyl)-1-(7-chloro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105048574
[(5-bromo-2-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methyl]hydrazine
CID 105267826
[(4-bromo-3-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105338351
[(3-bromo-2-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methyl]hydrazine
CID 105268152
[(7-chloro-1-benzofuran-2-yl)-thiophen-2-ylmethyl]hydrazine
CID 105193697
[(7-bromo-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methyl]hydrazine
CID 105301983

Frequently Asked Questions

What is the IUPAC name of [(2-bromo-3-methylphenyl)-(7-chloro-1-benzofuran-2-yl)methyl]hydrazine?
The IUPAC name of [(2-bromo-3-methylphenyl)-(7-chloro-1-benzofuran-2-yl)methyl]hydrazine (CID 107986198) is [(2-bromo-3-methylphenyl)-(7-chloro-1-benzofuran-2-yl)methyl]hydrazine.
What is the SMILES notation for [(2-bromo-3-methylphenyl)-(7-chloro-1-benzofuran-2-yl)methyl]hydrazine?
The canonical SMILES for [(2-bromo-3-methylphenyl)-(7-chloro-1-benzofuran-2-yl)methyl]hydrazine is Cc1cccc(C(NN)c2cc3cccc(Cl)c3o2)c1Br.
What is the InChIKey of [(2-bromo-3-methylphenyl)-(7-chloro-1-benzofuran-2-yl)methyl]hydrazine?
The InChIKey is GUISHKBLJWMWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O/c1-9-4-2-6-11(14(9)17)15(20-19)13-8-10-5-3-7-12(18)16(10)21-13/h2-8,15,20H,19H2,1H3.
What are the key properties of [(2-bromo-3-methylphenyl)-(7-chloro-1-benzofuran-2-yl)methyl]hydrazine?
[(2-bromo-3-methylphenyl)-(7-chloro-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 [(2-bromo-3-methylphenyl)-(7-chloro-1-benzofuran-2-yl)methyl]hydrazine is sourced from PubChem (CID 107986198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).