[(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methyl]hydrazine

C14H12Br2ClFN2 — CID 114024336

IUPAC[(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methyl]hydrazine
SMILESCc1cccc(C(NN)c2ccc(Br)c(Cl)c2F)c1Br
InChIInChI=1S/C14H12Br2ClFN2/c1-7-3-2-4-8(11(7)16)14(20-19)9-5-6-10(15)12(17)13(9)18/h2-6,14,20H,19H2,1H3
InChIKeyIAIHTLBSYCTRPX-UHFFFAOYSA-N
MW422.52 g/mol
LogP4.87
Rot. Bonds3

About [(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methyl]hydrazine

[(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methyl]hydrazine (PubChem CID 114024336) has the molecular formula C14H12Br2ClFN2 and a molecular weight of 422.52 g/mol. Its IUPAC name is [(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methyl]hydrazine
PubChem CID114024336
Molecular FormulaC14H12Br2ClFN2
Molecular Weight422.52 g/mol
Exact Mass419.90
IUPAC Name[(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methyl]hydrazine
SMILESCc1cccc(C(NN)c2ccc(Br)c(Cl)c2F)c1Br
InChIInChI=1S/C14H12Br2ClFN2/c1-7-3-2-4-8(11(7)16)14(20-19)9-5-6-10(15)12(17)13(9)18/h2-6,14,20H,19H2,1H3
InChIKeyIAIHTLBSYCTRPX-UHFFFAOYSA-N
XLogP4.87
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.52
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

[(4-bromo-3-chloro-2-fluorophenyl)-(3-bromo-2-methylphenyl)methyl]hydrazine
CID 106765567
[(2-bromo-3-methylphenyl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine
CID 107986248
[(4-bromo-3-chloro-2-fluorophenyl)-(2-fluorophenyl)methyl]hydrazine
CID 106765249
[(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-3,4-difluorophenyl)methyl]hydrazine
CID 107541279
[(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methylphenyl)methyl]hydrazine
CID 106765528
[(4-bromo-3-chloro-2-fluorophenyl)-(2-ethylphenyl)methyl]hydrazine
CID 106765526
(4-bromo-3-chloro-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 106764463
1-(4-bromo-3-chloro-2-fluorophenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 106762319
[(2-bromo-3-methylphenyl)-(2-fluorophenyl)methyl]hydrazine
CID 107985973
[(4-bromo-3-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 106765432
[(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

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methyl]hydrazine?
The IUPAC name of [(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methyl]hydrazine (CID 114024336) is [(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methyl]hydrazine is Cc1cccc(C(NN)c2ccc(Br)c(Cl)c2F)c1Br.
What is the InChIKey of [(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methyl]hydrazine?
The InChIKey is IAIHTLBSYCTRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2ClFN2/c1-7-3-2-4-8(11(7)16)14(20-19)9-5-6-10(15)12(17)13(9)18/h2-6,14,20H,19H2,1H3.
What are the key properties of [(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methyl]hydrazine?
[(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methyl]hydrazine has a molecular weight of 422.52 g/mol, XLogP of 4.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methyl]hydrazine is sourced from PubChem (CID 114024336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).