[(3-bromofuran-2-yl)-(2-chloro-4-methylphenyl)methyl]hydrazine

C12H12BrClN2O — CID 106859943

IUPAC[(3-bromofuran-2-yl)-(2-chloro-4-methylphenyl)methyl]hydrazine
SMILESCc1ccc(C(NN)c2occc2Br)c(Cl)c1
InChIInChI=1S/C12H12BrClN2O/c1-7-2-3-8(10(14)6-7)11(16-15)12-9(13)4-5-17-12/h2-6,11,16H,15H2,1H3
InChIKeyKNMQSJWZXRAODG-UHFFFAOYSA-N
MW315.60 g/mol
LogP3.56
Rot. Bonds3

About [(3-bromofuran-2-yl)-(2-chloro-4-methylphenyl)methyl]hydrazine

[(3-bromofuran-2-yl)-(2-chloro-4-methylphenyl)methyl]hydrazine (PubChem CID 106859943) has the molecular formula C12H12BrClN2O and a molecular weight of 315.60 g/mol. Its IUPAC name is [(3-bromofuran-2-yl)-(2-chloro-4-methylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromofuran-2-yl)-(2-chloro-4-methylphenyl)methyl]hydrazine
PubChem CID106859943
Molecular FormulaC12H12BrClN2O
Molecular Weight315.60 g/mol
Exact Mass313.98
IUPAC Name[(3-bromofuran-2-yl)-(2-chloro-4-methylphenyl)methyl]hydrazine
SMILESCc1ccc(C(NN)c2occc2Br)c(Cl)c1
InChIInChI=1S/C12H12BrClN2O/c1-7-2-3-8(10(14)6-7)11(16-15)12-9(13)4-5-17-12/h2-6,11,16H,15H2,1H3
InChIKeyKNMQSJWZXRAODG-UHFFFAOYSA-N
XLogP3.56
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.60
LogP ≤ 53.56
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-2-[(3-bromofuran-2-yl)-hydrazinylmethyl]aniline
CID 105263648
[(2-bromo-4-fluorophenyl)-(3-bromofuran-2-yl)methyl]hydrazine
CID 105309112
N-[(4-bromo-2-chlorophenyl)-(3-bromofuran-2-yl)methyl]propan-1-amine
CID 115861234
[(5-bromo-2-fluorophenyl)-(3-bromofuran-2-yl)methyl]hydrazine
CID 105280775
[(2-chloro-4-methylphenyl)-(3-methylphenyl)methyl]hydrazine
CID 106859691
[(2-bromo-4-methylphenyl)-(2-chlorophenyl)methyl]hydrazine
CID 105287348
[(3-bromofuran-2-yl)-(2,6-dimethyl-4-pyridinyl)methyl]hydrazine
CID 107504907
[(2-chloro-4-methylphenyl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 106860041
[(2-bromo-4-methylphenyl)-(3,4-dichlorophenyl)methyl]hydrazine
CID 105281300
1-(2-chloro-4-methylphenyl)-1-(furan-2-yl)-N-methylmethanamine
CID 106857596
[(2-chloro-4-methylphenyl)-(5-fluoro-2-methoxyphenyl)methyl]hydrazine
CID 106860165
[(2-chloro-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine
CID 106859925

Frequently Asked Questions

What is the IUPAC name of [(3-bromofuran-2-yl)-(2-chloro-4-methylphenyl)methyl]hydrazine?
The IUPAC name of [(3-bromofuran-2-yl)-(2-chloro-4-methylphenyl)methyl]hydrazine (CID 106859943) is [(3-bromofuran-2-yl)-(2-chloro-4-methylphenyl)methyl]hydrazine.
What is the SMILES notation for [(3-bromofuran-2-yl)-(2-chloro-4-methylphenyl)methyl]hydrazine?
The canonical SMILES for [(3-bromofuran-2-yl)-(2-chloro-4-methylphenyl)methyl]hydrazine is Cc1ccc(C(NN)c2occc2Br)c(Cl)c1.
What is the InChIKey of [(3-bromofuran-2-yl)-(2-chloro-4-methylphenyl)methyl]hydrazine?
The InChIKey is KNMQSJWZXRAODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2O/c1-7-2-3-8(10(14)6-7)11(16-15)12-9(13)4-5-17-12/h2-6,11,16H,15H2,1H3.
What are the key properties of [(3-bromofuran-2-yl)-(2-chloro-4-methylphenyl)methyl]hydrazine?
[(3-bromofuran-2-yl)-(2-chloro-4-methylphenyl)methyl]hydrazine has a molecular weight of 315.60 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromofuran-2-yl)-(2-chloro-4-methylphenyl)methyl]hydrazine is sourced from PubChem (CID 106859943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).