[1-(2-bromo-3-fluorophenyl)-4-(4-methylphenyl)butan-2-yl]hydrazine

C17H20BrFN2 — CID 105327036

IUPAC[1-(2-bromo-3-fluorophenyl)-4-(4-methylphenyl)butan-2-yl]hydrazine
SMILESCc1ccc(CCC(Cc2cccc(F)c2Br)NN)cc1
InChIInChI=1S/C17H20BrFN2/c1-12-5-7-13(8-6-12)9-10-15(21-20)11-14-3-2-4-16(19)17(14)18/h2-8,15,21H,9-11,20H2,1H3
InChIKeyWNSVBFSSWKJWJA-UHFFFAOYSA-N
MW351.26 g/mol
LogP3.90
Rot. Bonds6

About [1-(2-bromo-3-fluorophenyl)-4-(4-methylphenyl)butan-2-yl]hydrazine

[1-(2-bromo-3-fluorophenyl)-4-(4-methylphenyl)butan-2-yl]hydrazine (PubChem CID 105327036) has the molecular formula C17H20BrFN2 and a molecular weight of 351.26 g/mol. Its IUPAC name is [1-(2-bromo-3-fluorophenyl)-4-(4-methylphenyl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromo-3-fluorophenyl)-4-(4-methylphenyl)butan-2-yl]hydrazine
PubChem CID105327036
Molecular FormulaC17H20BrFN2
Molecular Weight351.26 g/mol
Exact Mass350.08
IUPAC Name[1-(2-bromo-3-fluorophenyl)-4-(4-methylphenyl)butan-2-yl]hydrazine
SMILESCc1ccc(CCC(Cc2cccc(F)c2Br)NN)cc1
InChIInChI=1S/C17H20BrFN2/c1-12-5-7-13(8-6-12)9-10-15(21-20)11-14-3-2-4-16(19)17(14)18/h2-8,15,21H,9-11,20H2,1H3
InChIKeyWNSVBFSSWKJWJA-UHFFFAOYSA-N
XLogP3.90
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [1-(2-bromo-3-fluorophenyl)-4-(4-methylphenyl)butan-2-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-bromo-3-fluorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259150
[1-(2-bromo-3-fluorophenyl)-3-(4-methoxyphenyl)propan-2-yl]hydrazine
CID 105205390
[1-(2-bromo-3-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-yl]hydrazine
CID 105327024
[1-(2-bromo-3-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine
CID 102929724
[1-(4-methylphenyl)-4-phenylbutan-2-yl]hydrazine
CID 105205750
[1-(2,3-difluorophenyl)-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105298035
[1-(2-bromo-3-fluorophenyl)-3-(3-bromophenyl)propan-2-yl]hydrazine
CID 105202695
[1-(2-bromo-3-fluorophenyl)-3-(2-chlorophenyl)propan-2-yl]hydrazine
CID 105209469
1-(2-bromo-3-fluorophenyl)-N-methyl-5-phenylpentan-2-amine
CID 105172022
[1-(2-bromo-5-fluorophenyl)-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105297114
[1-(2-bromophenyl)-4-(4-methoxyphenyl)butan-2-yl]hydrazine
CID 105214858
[2-(2-bromo-3-fluorophenyl)-1-(2,3-dimethylphenyl)ethyl]hydrazine
CID 105327015

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-3-fluorophenyl)-4-(4-methylphenyl)butan-2-yl]hydrazine?
The IUPAC name of [1-(2-bromo-3-fluorophenyl)-4-(4-methylphenyl)butan-2-yl]hydrazine (CID 105327036) is [1-(2-bromo-3-fluorophenyl)-4-(4-methylphenyl)butan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-bromo-3-fluorophenyl)-4-(4-methylphenyl)butan-2-yl]hydrazine?
The canonical SMILES for [1-(2-bromo-3-fluorophenyl)-4-(4-methylphenyl)butan-2-yl]hydrazine is Cc1ccc(CCC(Cc2cccc(F)c2Br)NN)cc1.
What is the InChIKey of [1-(2-bromo-3-fluorophenyl)-4-(4-methylphenyl)butan-2-yl]hydrazine?
The InChIKey is WNSVBFSSWKJWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrFN2/c1-12-5-7-13(8-6-12)9-10-15(21-20)11-14-3-2-4-16(19)17(14)18/h2-8,15,21H,9-11,20H2,1H3.
What are the key properties of [1-(2-bromo-3-fluorophenyl)-4-(4-methylphenyl)butan-2-yl]hydrazine?
[1-(2-bromo-3-fluorophenyl)-4-(4-methylphenyl)butan-2-yl]hydrazine has a molecular weight of 351.26 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-3-fluorophenyl)-4-(4-methylphenyl)butan-2-yl]hydrazine is sourced from PubChem (CID 105327036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).