5-bromo-N-(4-fluorophenyl)-2-methanimidoylaniline

C13H10BrFN2 — CID 134405282

IUPAC5-bromo-N-(4-fluorophenyl)-2-methanimidoylaniline
SMILES[H]/N=C/c1ccc(Br)cc1Nc1ccc(F)cc1
InChIInChI=1S/C13H10BrFN2/c14-10-2-1-9(8-16)13(7-10)17-12-5-3-11(15)4-6-12/h1-8,16-17H/b16-8+
InChIKeyXSKVHOHLCLFXJK-LZYBPNLTSA-N
MW293.14 g/mol
LogP4.33
Rot. Bonds3

About 5-bromo-N-(4-fluorophenyl)-2-methanimidoylaniline

5-bromo-N-(4-fluorophenyl)-2-methanimidoylaniline (PubChem CID 134405282) has the molecular formula C13H10BrFN2 and a molecular weight of 293.14 g/mol. Its IUPAC name is 5-bromo-N-(4-fluorophenyl)-2-methanimidoylaniline.

Molecular Properties

Compound Name5-bromo-N-(4-fluorophenyl)-2-methanimidoylaniline
PubChem CID134405282
Molecular FormulaC13H10BrFN2
Molecular Weight293.14 g/mol
Exact Mass292.00
IUPAC Name5-bromo-N-(4-fluorophenyl)-2-methanimidoylaniline
SMILES[H]/N=C/c1ccc(Br)cc1Nc1ccc(F)cc1
InChIInChI=1S/C13H10BrFN2/c14-10-2-1-9(8-16)13(7-10)17-12-5-3-11(15)4-6-12/h1-8,16-17H/b16-8+
InChIKeyXSKVHOHLCLFXJK-LZYBPNLTSA-N
XLogP4.33
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.14
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-bromo-N-(4-fluorophenyl)-2-methanimidoylaniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-fluorophenyl)-2-methanimidoylaniline?
The IUPAC name of 5-bromo-N-(4-fluorophenyl)-2-methanimidoylaniline (CID 134405282) is 5-bromo-N-(4-fluorophenyl)-2-methanimidoylaniline.
What is the SMILES notation for 5-bromo-N-(4-fluorophenyl)-2-methanimidoylaniline?
The canonical SMILES for 5-bromo-N-(4-fluorophenyl)-2-methanimidoylaniline is [H]/N=C/c1ccc(Br)cc1Nc1ccc(F)cc1.
What is the InChIKey of 5-bromo-N-(4-fluorophenyl)-2-methanimidoylaniline?
The InChIKey is XSKVHOHLCLFXJK-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H10BrFN2/c14-10-2-1-9(8-16)13(7-10)17-12-5-3-11(15)4-6-12/h1-8,16-17H/b16-8+.
What are the key properties of 5-bromo-N-(4-fluorophenyl)-2-methanimidoylaniline?
5-bromo-N-(4-fluorophenyl)-2-methanimidoylaniline has a molecular weight of 293.14 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-fluorophenyl)-2-methanimidoylaniline is sourced from PubChem (CID 134405282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).