2-(2-bromobenzenecarboximidoyl)-4-fluoroaniline

C13H10BrFN2 — CID 19022669

IUPAC2-(2-bromobenzenecarboximidoyl)-4-fluoroaniline
SMILES[H]/N=C(/c1cc(F)ccc1N)c1ccccc1Br
InChIInChI=1S/C13H10BrFN2/c14-11-4-2-1-3-9(11)13(17)10-7-8(15)5-6-12(10)16/h1-7,17H,16H2/b17-13+
InChIKeyHAOYLFDXQHDZBD-GHRIWEEISA-N
MW293.14 g/mol
LogP3.59
Rot. Bonds2

About 2-(2-bromobenzenecarboximidoyl)-4-fluoroaniline

2-(2-bromobenzenecarboximidoyl)-4-fluoroaniline (PubChem CID 19022669) has the molecular formula C13H10BrFN2 and a molecular weight of 293.14 g/mol. Its IUPAC name is 2-(2-bromobenzenecarboximidoyl)-4-fluoroaniline.

Molecular Properties

Compound Name2-(2-bromobenzenecarboximidoyl)-4-fluoroaniline
PubChem CID19022669
Molecular FormulaC13H10BrFN2
Molecular Weight293.14 g/mol
Exact Mass292.00
IUPAC Name2-(2-bromobenzenecarboximidoyl)-4-fluoroaniline
SMILES[H]/N=C(/c1cc(F)ccc1N)c1ccccc1Br
InChIInChI=1S/C13H10BrFN2/c14-11-4-2-1-3-9(11)13(17)10-7-8(15)5-6-12(10)16/h1-7,17H,16H2/b17-13+
InChIKeyHAOYLFDXQHDZBD-GHRIWEEISA-N
XLogP3.59
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.14
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromobenzenecarboximidoyl)-4-fluoroaniline?
The IUPAC name of 2-(2-bromobenzenecarboximidoyl)-4-fluoroaniline (CID 19022669) is 2-(2-bromobenzenecarboximidoyl)-4-fluoroaniline.
What is the SMILES notation for 2-(2-bromobenzenecarboximidoyl)-4-fluoroaniline?
The canonical SMILES for 2-(2-bromobenzenecarboximidoyl)-4-fluoroaniline is [H]/N=C(/c1cc(F)ccc1N)c1ccccc1Br.
What is the InChIKey of 2-(2-bromobenzenecarboximidoyl)-4-fluoroaniline?
The InChIKey is HAOYLFDXQHDZBD-GHRIWEEISA-N. The full InChI is InChI=1S/C13H10BrFN2/c14-11-4-2-1-3-9(11)13(17)10-7-8(15)5-6-12(10)16/h1-7,17H,16H2/b17-13+.
What are the key properties of 2-(2-bromobenzenecarboximidoyl)-4-fluoroaniline?
2-(2-bromobenzenecarboximidoyl)-4-fluoroaniline has a molecular weight of 293.14 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromobenzenecarboximidoyl)-4-fluoroaniline is sourced from PubChem (CID 19022669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).