[1-benzothiophen-3-yl-(4-bromo-3-chloro-2-fluorophenyl)methyl]hydrazine

C15H11BrClFN2S — CID 106765556

IUPAC[1-benzothiophen-3-yl-(4-bromo-3-chloro-2-fluorophenyl)methyl]hydrazine
SMILESNNC(c1ccc(Br)c(Cl)c1F)c1csc2ccccc12
InChIInChI=1S/C15H11BrClFN2S/c16-11-6-5-9(14(18)13(11)17)15(20-19)10-7-21-12-4-2-1-3-8(10)12/h1-7,15,20H,19H2
InChIKeyXLJNRJLRKMPSQC-UHFFFAOYSA-N
MW385.69 g/mol
LogP5.01
Rot. Bonds3

About [1-benzothiophen-3-yl-(4-bromo-3-chloro-2-fluorophenyl)methyl]hydrazine

[1-benzothiophen-3-yl-(4-bromo-3-chloro-2-fluorophenyl)methyl]hydrazine (PubChem CID 106765556) has the molecular formula C15H11BrClFN2S and a molecular weight of 385.69 g/mol. Its IUPAC name is [1-benzothiophen-3-yl-(4-bromo-3-chloro-2-fluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[1-benzothiophen-3-yl-(4-bromo-3-chloro-2-fluorophenyl)methyl]hydrazine
PubChem CID106765556
Molecular FormulaC15H11BrClFN2S
Molecular Weight385.69 g/mol
Exact Mass383.95
IUPAC Name[1-benzothiophen-3-yl-(4-bromo-3-chloro-2-fluorophenyl)methyl]hydrazine
SMILESNNC(c1ccc(Br)c(Cl)c1F)c1csc2ccccc12
InChIInChI=1S/C15H11BrClFN2S/c16-11-6-5-9(14(18)13(11)17)15(20-19)10-7-21-12-4-2-1-3-8(10)12/h1-7,15,20H,19H2
InChIKeyXLJNRJLRKMPSQC-UHFFFAOYSA-N
XLogP5.01
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.69
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-benzothiophen-3-yl-(3-bromo-2-fluorophenyl)methyl]hydrazine
CID 106649802
[(4-bromo-3-chloro-2-fluorophenyl)-(2-fluorophenyl)methyl]hydrazine
CID 106765249
[1-benzothiophen-3-yl-(2-chloro-5-fluorophenyl)methyl]hydrazine
CID 105398126
[(4-bromo-3-chloro-2-fluorophenyl)-(2-chlorofuran-3-yl)methyl]hydrazine
CID 106765512
[(4-bromo-3-chloro-2-fluorophenyl)-(2-ethylphenyl)methyl]hydrazine
CID 106765526
[(4-bromo-3-chloro-2-fluorophenyl)-(5-chloro-2-fluorophenyl)methyl]hydrazine
CID 106765419
[(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-4-chlorophenyl)methyl]hydrazine
CID 107997423
[(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-3,4-difluorophenyl)methyl]hydrazine
CID 107541279
[(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methyl]hydrazine
CID 114024336
[(4-bromo-3-chloro-2-fluorophenyl)-(3-bromo-2-methylphenyl)methyl]hydrazine
CID 106765567
[(4-bromo-3-chloro-2-fluorophenyl)-pyridin-2-ylmethyl]hydrazine
CID 106765183
[(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methylphenyl)methyl]hydrazine
CID 106765528

Frequently Asked Questions

What is the IUPAC name of [1-benzothiophen-3-yl-(4-bromo-3-chloro-2-fluorophenyl)methyl]hydrazine?
The IUPAC name of [1-benzothiophen-3-yl-(4-bromo-3-chloro-2-fluorophenyl)methyl]hydrazine (CID 106765556) is [1-benzothiophen-3-yl-(4-bromo-3-chloro-2-fluorophenyl)methyl]hydrazine.
What is the SMILES notation for [1-benzothiophen-3-yl-(4-bromo-3-chloro-2-fluorophenyl)methyl]hydrazine?
The canonical SMILES for [1-benzothiophen-3-yl-(4-bromo-3-chloro-2-fluorophenyl)methyl]hydrazine is NNC(c1ccc(Br)c(Cl)c1F)c1csc2ccccc12.
What is the InChIKey of [1-benzothiophen-3-yl-(4-bromo-3-chloro-2-fluorophenyl)methyl]hydrazine?
The InChIKey is XLJNRJLRKMPSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFN2S/c16-11-6-5-9(14(18)13(11)17)15(20-19)10-7-21-12-4-2-1-3-8(10)12/h1-7,15,20H,19H2.
What are the key properties of [1-benzothiophen-3-yl-(4-bromo-3-chloro-2-fluorophenyl)methyl]hydrazine?
[1-benzothiophen-3-yl-(4-bromo-3-chloro-2-fluorophenyl)methyl]hydrazine has a molecular weight of 385.69 g/mol, XLogP of 5.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzothiophen-3-yl-(4-bromo-3-chloro-2-fluorophenyl)methyl]hydrazine is sourced from PubChem (CID 106765556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).