2-bromo-4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline

C16H16BrCl2N3 — CID 19060061

IUPAC2-bromo-4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1Br
InChIInChI=1S/C16H16BrCl2N3/c1-22(2)16-7-6-11(8-13(16)17)9-20-21-10-12-14(18)4-3-5-15(12)19/h3-9,21H,10H2,1-2H3/b20-9+
InChIKeyKIQMKLOBYKOACE-AWQFTUOYSA-N
MW401.14 g/mol
LogP4.95
Rot. Bonds5

About 2-bromo-4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline

2-bromo-4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline (PubChem CID 19060061) has the molecular formula C16H16BrCl2N3 and a molecular weight of 401.14 g/mol. Its IUPAC name is 2-bromo-4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name2-bromo-4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline
PubChem CID19060061
Molecular FormulaC16H16BrCl2N3
Molecular Weight401.14 g/mol
Exact Mass398.99
IUPAC Name2-bromo-4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1Br
InChIInChI=1S/C16H16BrCl2N3/c1-22(2)16-7-6-11(8-13(16)17)9-20-21-10-12-14(18)4-3-5-15(12)19/h3-9,21H,10H2,1-2H3/b20-9+
InChIKeyKIQMKLOBYKOACE-AWQFTUOYSA-N
XLogP4.95
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.14
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 2-bromo-4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline?
The IUPAC name of 2-bromo-4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline (CID 19060061) is 2-bromo-4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 2-bromo-4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline?
The canonical SMILES for 2-bromo-4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline is CN(C)c1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1Br.
What is the InChIKey of 2-bromo-4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline?
The InChIKey is KIQMKLOBYKOACE-AWQFTUOYSA-N. The full InChI is InChI=1S/C16H16BrCl2N3/c1-22(2)16-7-6-11(8-13(16)17)9-20-21-10-12-14(18)4-3-5-15(12)19/h3-9,21H,10H2,1-2H3/b20-9+.
What are the key properties of 2-bromo-4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline?
2-bromo-4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline has a molecular weight of 401.14 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 19060061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).