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

C16H15ClN2O — CID 105194545

IUPAC[(3-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
SMILESCc1ccc2oc(C(NN)c3cccc(Cl)c3)cc2c1
InChIInChI=1S/C16H15ClN2O/c1-10-5-6-14-12(7-10)9-15(20-14)16(19-18)11-3-2-4-13(17)8-11/h2-9,16,19H,18H2,1H3
InChIKeyIHMJUZQXFMXLGY-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.95
Rot. Bonds3

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

[(3-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine (PubChem CID 105194545) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is [(3-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
PubChem CID105194545
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name[(3-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
SMILESCc1ccc2oc(C(NN)c3cccc(Cl)c3)cc2c1
InChIInChI=1S/C16H15ClN2O/c1-10-5-6-14-12(7-10)9-15(20-14)16(19-18)11-3-2-4-13(17)8-11/h2-9,16,19H,18H2,1H3
InChIKeyIHMJUZQXFMXLGY-UHFFFAOYSA-N
XLogP3.95
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.95
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

[(4-bromo-3-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105338291
[(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-methylphenyl)methyl]hydrazine
CID 105338541
[(5-methyl-1-benzofuran-2-yl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105313231
[(5-chloro-1-benzofuran-2-yl)-(5-methyl-3-pyridinyl)methyl]hydrazine
CID 105338577
[(5-methyl-1-benzofuran-2-yl)-pyrimidin-2-ylmethyl]hydrazine
CID 105203566
[(2,5-dichlorothiophen-3-yl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 107970618
1-(3-fluorophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 114727544
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-phenylmethanamine
CID 114727848
[(5-fluoro-1-benzofuran-2-yl)-(3-fluorophenyl)methyl]hydrazine
CID 105193194
[(3-bromo-5-chlorophenyl)-(5-chloro-1-benzofuran-2-yl)methyl]hydrazine
CID 107948526
[(3-chlorophenyl)-(2,6-dimethyl-4-pyridinyl)methyl]hydrazine
CID 107505046
[(5-chloro-1-benzofuran-2-yl)-(3,5-difluorophenyl)methyl]hydrazine
CID 105207773

Frequently Asked Questions

What is the IUPAC name of [(3-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine?
The IUPAC name of [(3-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine (CID 105194545) is [(3-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine.
What is the SMILES notation for [(3-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine?
The canonical SMILES for [(3-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine is Cc1ccc2oc(C(NN)c3cccc(Cl)c3)cc2c1.
What is the InChIKey of [(3-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine?
The InChIKey is IHMJUZQXFMXLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-10-5-6-14-12(7-10)9-15(20-14)16(19-18)11-3-2-4-13(17)8-11/h2-9,16,19H,18H2,1H3.
What are the key properties of [(3-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine?
[(3-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine has a molecular weight of 286.76 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine is sourced from PubChem (CID 105194545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).