[(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-methylphenyl)methyl]hydrazine

C16H14Cl2N2O — CID 105338541

IUPAC[(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-methylphenyl)methyl]hydrazine
SMILESCc1ccc(C(NN)c2cc3cc(Cl)ccc3o2)cc1Cl
InChIInChI=1S/C16H14Cl2N2O/c1-9-2-3-10(7-13(9)18)16(20-19)15-8-11-6-12(17)4-5-14(11)21-15/h2-8,16,20H,19H2,1H3
InChIKeyZJWXJWOKSMFPQB-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.60
Rot. Bonds3

About [(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-methylphenyl)methyl]hydrazine

[(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-methylphenyl)methyl]hydrazine (PubChem CID 105338541) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is [(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-methylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-methylphenyl)methyl]hydrazine
PubChem CID105338541
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name[(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-methylphenyl)methyl]hydrazine
SMILESCc1ccc(C(NN)c2cc3cc(Cl)ccc3o2)cc1Cl
InChIInChI=1S/C16H14Cl2N2O/c1-9-2-3-10(7-13(9)18)16(20-19)15-8-11-6-12(17)4-5-14(11)21-15/h2-8,16,20H,19H2,1H3
InChIKeyZJWXJWOKSMFPQB-UHFFFAOYSA-N
XLogP4.60
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.60
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-(5-chloro-1-benzofuran-2-yl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 105045789
1-(5-chloro-1-benzofuran-2-yl)-1-(3-chloro-4-fluorophenyl)-N-methylmethanamine
CID 114728551
[(5-chloro-1-benzofuran-2-yl)-(5-methyl-3-pyridinyl)methyl]hydrazine
CID 105338577
[(4-bromo-3-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105338291
[(5-chloro-1-benzofuran-2-yl)-(3,5-difluorophenyl)methyl]hydrazine
CID 105207773
1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 114727660
[(3-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105194545
[(5-chloro-1-benzofuran-2-yl)-(furan-3-yl)methyl]hydrazine
CID 105221236
[(3-bromo-5-chlorophenyl)-(5-chloro-1-benzofuran-2-yl)methyl]hydrazine
CID 107948526
[(4-chloro-3-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 107997332
[(5-chloro-1-benzofuran-2-yl)-(3-methyl-2-pyridinyl)methyl]hydrazine
CID 105209118
5-chloro-2-[(5-chloro-1-benzofuran-2-yl)-hydrazinylmethyl]aniline
CID 105224051

Frequently Asked Questions

What is the IUPAC name of [(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-methylphenyl)methyl]hydrazine?
The IUPAC name of [(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-methylphenyl)methyl]hydrazine (CID 105338541) is [(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-methylphenyl)methyl]hydrazine.
What is the SMILES notation for [(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-methylphenyl)methyl]hydrazine?
The canonical SMILES for [(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-methylphenyl)methyl]hydrazine is Cc1ccc(C(NN)c2cc3cc(Cl)ccc3o2)cc1Cl.
What is the InChIKey of [(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-methylphenyl)methyl]hydrazine?
The InChIKey is ZJWXJWOKSMFPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c1-9-2-3-10(7-13(9)18)16(20-19)15-8-11-6-12(17)4-5-14(11)21-15/h2-8,16,20H,19H2,1H3.
What are the key properties of [(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-methylphenyl)methyl]hydrazine?
[(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-methylphenyl)methyl]hydrazine has a molecular weight of 321.21 g/mol, XLogP of 4.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-methylphenyl)methyl]hydrazine is sourced from PubChem (CID 105338541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).