1-[(4-bromo-2,3-dichlorophenyl)methyl]-2-phenylhydrazine

C13H11BrCl2N2 — CID 169385494

IUPAC1-[(4-bromo-2,3-dichlorophenyl)methyl]-2-phenylhydrazine
SMILESClc1c(Br)ccc(CNNc2ccccc2)c1Cl
InChIInChI=1S/C13H11BrCl2N2/c14-11-7-6-9(12(15)13(11)16)8-17-18-10-4-2-1-3-5-10/h1-7,17-18H,8H2
InChIKeyINEGLZGYPRVSBJ-UHFFFAOYSA-N
MW346.06 g/mol
LogP4.87
Rot. Bonds4

About 1-[(4-bromo-2,3-dichlorophenyl)methyl]-2-phenylhydrazine

1-[(4-bromo-2,3-dichlorophenyl)methyl]-2-phenylhydrazine (PubChem CID 169385494) has the molecular formula C13H11BrCl2N2 and a molecular weight of 346.06 g/mol. Its IUPAC name is 1-[(4-bromo-2,3-dichlorophenyl)methyl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[(4-bromo-2,3-dichlorophenyl)methyl]-2-phenylhydrazine
PubChem CID169385494
Molecular FormulaC13H11BrCl2N2
Molecular Weight346.06 g/mol
Exact Mass343.95
IUPAC Name1-[(4-bromo-2,3-dichlorophenyl)methyl]-2-phenylhydrazine
SMILESClc1c(Br)ccc(CNNc2ccccc2)c1Cl
InChIInChI=1S/C13H11BrCl2N2/c14-11-7-6-9(12(15)13(11)16)8-17-18-10-4-2-1-3-5-10/h1-7,17-18H,8H2
InChIKeyINEGLZGYPRVSBJ-UHFFFAOYSA-N
XLogP4.87
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.06
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(2,6-dibromophenyl)methyl]-2-phenylhydrazine
CID 169384469
1-[(2-bromo-5-methoxyphenyl)methyl]-2-phenylhydrazine
CID 15532440
1-[(2-chloro-4-iodophenyl)methyl]-2-phenylhydrazine
CID 169386761
2-bromo-6-[(2-phenylhydrazinyl)methyl]benzoic acid
CID 169387165
1-[(4-chlorophenyl)methyl]-2-phenylhydrazine
CID 70410939
1-[(2-bromo-3,5-difluorophenyl)methyl]-2-phenylhydrazine
CID 169384645
1-[(2,4-dimethylphenyl)methyl]-2-phenylhydrazine
CID 169384445
3-[(2-phenylhydrazinyl)methyl]benzene-1,2-diol
CID 169384433
1-[(2-chloro-4-fluoro-5-methylphenyl)methyl]-2-phenylhydrazine
CID 169386722
1-[(3-bromo-2-methoxy-6-methylphenyl)methyl]-2-phenylhydrazine
CID 169387140
1-[(2,6-dichloro-3-fluorophenyl)methyl]-2-phenylhydrazine
CID 169385518
2,3-dimethyl-6-[(2-phenylhydrazinyl)methyl]phenol
CID 169385241

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2,3-dichlorophenyl)methyl]-2-phenylhydrazine?
The IUPAC name of 1-[(4-bromo-2,3-dichlorophenyl)methyl]-2-phenylhydrazine (CID 169385494) is 1-[(4-bromo-2,3-dichlorophenyl)methyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[(4-bromo-2,3-dichlorophenyl)methyl]-2-phenylhydrazine?
The canonical SMILES for 1-[(4-bromo-2,3-dichlorophenyl)methyl]-2-phenylhydrazine is Clc1c(Br)ccc(CNNc2ccccc2)c1Cl.
What is the InChIKey of 1-[(4-bromo-2,3-dichlorophenyl)methyl]-2-phenylhydrazine?
The InChIKey is INEGLZGYPRVSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrCl2N2/c14-11-7-6-9(12(15)13(11)16)8-17-18-10-4-2-1-3-5-10/h1-7,17-18H,8H2.
What are the key properties of 1-[(4-bromo-2,3-dichlorophenyl)methyl]-2-phenylhydrazine?
1-[(4-bromo-2,3-dichlorophenyl)methyl]-2-phenylhydrazine has a molecular weight of 346.06 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2,3-dichlorophenyl)methyl]-2-phenylhydrazine is sourced from PubChem (CID 169385494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).