[1-(4-bromo-2,6-difluorophenyl)-2-(2-chloro-4-methylphenyl)ethyl]hydrazine

C15H14BrClF2N2 — CID 106868756

IUPAC[1-(4-bromo-2,6-difluorophenyl)-2-(2-chloro-4-methylphenyl)ethyl]hydrazine
SMILESCc1ccc(CC(NN)c2c(F)cc(Br)cc2F)c(Cl)c1
InChIInChI=1S/C15H14BrClF2N2/c1-8-2-3-9(11(17)4-8)5-14(21-20)15-12(18)6-10(16)7-13(15)19/h2-4,6-7,14,21H,5,20H2,1H3
InChIKeyPTYLVRMNHYQQMS-UHFFFAOYSA-N
MW375.64 g/mol
LogP4.44
Rot. Bonds4

About [1-(4-bromo-2,6-difluorophenyl)-2-(2-chloro-4-methylphenyl)ethyl]hydrazine

[1-(4-bromo-2,6-difluorophenyl)-2-(2-chloro-4-methylphenyl)ethyl]hydrazine (PubChem CID 106868756) has the molecular formula C15H14BrClF2N2 and a molecular weight of 375.64 g/mol. Its IUPAC name is [1-(4-bromo-2,6-difluorophenyl)-2-(2-chloro-4-methylphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-2,6-difluorophenyl)-2-(2-chloro-4-methylphenyl)ethyl]hydrazine
PubChem CID106868756
Molecular FormulaC15H14BrClF2N2
Molecular Weight375.64 g/mol
Exact Mass374.00
IUPAC Name[1-(4-bromo-2,6-difluorophenyl)-2-(2-chloro-4-methylphenyl)ethyl]hydrazine
SMILESCc1ccc(CC(NN)c2c(F)cc(Br)cc2F)c(Cl)c1
InChIInChI=1S/C15H14BrClF2N2/c1-8-2-3-9(11(17)4-8)5-14(21-20)15-12(18)6-10(16)7-13(15)19/h2-4,6-7,14,21H,5,20H2,1H3
InChIKeyPTYLVRMNHYQQMS-UHFFFAOYSA-N
XLogP4.44
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.64
LogP ≤ 54.44
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'}

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Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-2,6-difluorophenyl)-2-(2-chloro-4-methylphenyl)ethyl]hydrazine?
The IUPAC name of [1-(4-bromo-2,6-difluorophenyl)-2-(2-chloro-4-methylphenyl)ethyl]hydrazine (CID 106868756) is [1-(4-bromo-2,6-difluorophenyl)-2-(2-chloro-4-methylphenyl)ethyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-2,6-difluorophenyl)-2-(2-chloro-4-methylphenyl)ethyl]hydrazine?
The canonical SMILES for [1-(4-bromo-2,6-difluorophenyl)-2-(2-chloro-4-methylphenyl)ethyl]hydrazine is Cc1ccc(CC(NN)c2c(F)cc(Br)cc2F)c(Cl)c1.
What is the InChIKey of [1-(4-bromo-2,6-difluorophenyl)-2-(2-chloro-4-methylphenyl)ethyl]hydrazine?
The InChIKey is PTYLVRMNHYQQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClF2N2/c1-8-2-3-9(11(17)4-8)5-14(21-20)15-12(18)6-10(16)7-13(15)19/h2-4,6-7,14,21H,5,20H2,1H3.
What are the key properties of [1-(4-bromo-2,6-difluorophenyl)-2-(2-chloro-4-methylphenyl)ethyl]hydrazine?
[1-(4-bromo-2,6-difluorophenyl)-2-(2-chloro-4-methylphenyl)ethyl]hydrazine has a molecular weight of 375.64 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-2,6-difluorophenyl)-2-(2-chloro-4-methylphenyl)ethyl]hydrazine is sourced from PubChem (CID 106868756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).