[(7-chloro-1-benzofuran-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine

C17H17ClN2O — CID 105339711

IUPAC[(7-chloro-1-benzofuran-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine
SMILESCc1cc(C)cc(C(NN)c2cc3cccc(Cl)c3o2)c1
InChIInChI=1S/C17H17ClN2O/c1-10-6-11(2)8-13(7-10)16(20-19)15-9-12-4-3-5-14(18)17(12)21-15/h3-9,16,20H,19H2,1-2H3
InChIKeySDXIOKOVYJFYEQ-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.26
Rot. Bonds3

About [(7-chloro-1-benzofuran-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine

[(7-chloro-1-benzofuran-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine (PubChem CID 105339711) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is [(7-chloro-1-benzofuran-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(7-chloro-1-benzofuran-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine
PubChem CID105339711
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name[(7-chloro-1-benzofuran-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine
SMILESCc1cc(C)cc(C(NN)c2cc3cccc(Cl)c3o2)c1
InChIInChI=1S/C17H17ClN2O/c1-10-6-11(2)8-13(7-10)16(20-19)15-9-12-4-3-5-14(18)17(12)21-15/h3-9,16,20H,19H2,1-2H3
InChIKeySDXIOKOVYJFYEQ-UHFFFAOYSA-N
XLogP4.26
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.26
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
[(7-chloro-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methyl]hydrazine
CID 106756721
[(2-bromo-3-methylphenyl)-(7-chloro-1-benzofuran-2-yl)methyl]hydrazine
CID 107986198
[(7-chloro-1-benzofuran-2-yl)-(4-fluoro-2-methylphenyl)methyl]hydrazine
CID 105256705
[(7-chloro-1-benzofuran-2-yl)-thiophen-2-ylmethyl]hydrazine
CID 105193697
[(7-fluoro-1-benzofuran-2-yl)-(3-methylphenyl)methyl]hydrazine
CID 105200864
[(3-bromo-2-chlorophenyl)-(7-chloro-1-benzofuran-2-yl)methyl]hydrazine
CID 105339723
[(7-methyl-1-benzofuran-2-yl)-pyridin-4-ylmethyl]hydrazine
CID 105196376
[(3,5-dichlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105339255
[(5-bromo-2-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methyl]hydrazine
CID 105267826
[1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105208993
N-[(7-chloro-1-benzofuran-2-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 105187049

Frequently Asked Questions

What is the IUPAC name of [(7-chloro-1-benzofuran-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine?
The IUPAC name of [(7-chloro-1-benzofuran-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine (CID 105339711) is [(7-chloro-1-benzofuran-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine.
What is the SMILES notation for [(7-chloro-1-benzofuran-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine?
The canonical SMILES for [(7-chloro-1-benzofuran-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine is Cc1cc(C)cc(C(NN)c2cc3cccc(Cl)c3o2)c1.
What is the InChIKey of [(7-chloro-1-benzofuran-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine?
The InChIKey is SDXIOKOVYJFYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-10-6-11(2)8-13(7-10)16(20-19)15-9-12-4-3-5-14(18)17(12)21-15/h3-9,16,20H,19H2,1-2H3.
What are the key properties of [(7-chloro-1-benzofuran-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine?
[(7-chloro-1-benzofuran-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine has a molecular weight of 300.79 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(7-chloro-1-benzofuran-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine is sourced from PubChem (CID 105339711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).