N-benzyl-2-bromo-4-fluoroaniline

C13H11BrFN — CID 28938852

IUPACN-benzyl-2-bromo-4-fluoroaniline
SMILESFc1ccc(NCc2ccccc2)c(Br)c1
InChIInChI=1S/C13H11BrFN/c14-12-8-11(15)6-7-13(12)16-9-10-4-2-1-3-5-10/h1-8,16H,9H2
InChIKeyZYWNARZUNLGHGH-UHFFFAOYSA-N
MW280.14 g/mol
LogP4.20
Rot. Bonds3

About N-benzyl-2-bromo-4-fluoroaniline

N-benzyl-2-bromo-4-fluoroaniline (PubChem CID 28938852) has the molecular formula C13H11BrFN and a molecular weight of 280.14 g/mol. Its IUPAC name is N-benzyl-2-bromo-4-fluoroaniline.

Molecular Properties

Compound NameN-benzyl-2-bromo-4-fluoroaniline
PubChem CID28938852
Molecular FormulaC13H11BrFN
Molecular Weight280.14 g/mol
Exact Mass279.01
IUPAC NameN-benzyl-2-bromo-4-fluoroaniline
SMILESFc1ccc(NCc2ccccc2)c(Br)c1
InChIInChI=1S/C13H11BrFN/c14-12-8-11(15)6-7-13(12)16-9-10-4-2-1-3-5-10/h1-8,16H,9H2
InChIKeyZYWNARZUNLGHGH-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.14
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-bromo-4-fluoroaniline?
The IUPAC name of N-benzyl-2-bromo-4-fluoroaniline (CID 28938852) is N-benzyl-2-bromo-4-fluoroaniline.
What is the SMILES notation for N-benzyl-2-bromo-4-fluoroaniline?
The canonical SMILES for N-benzyl-2-bromo-4-fluoroaniline is Fc1ccc(NCc2ccccc2)c(Br)c1.
What is the InChIKey of N-benzyl-2-bromo-4-fluoroaniline?
The InChIKey is ZYWNARZUNLGHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN/c14-12-8-11(15)6-7-13(12)16-9-10-4-2-1-3-5-10/h1-8,16H,9H2.
What are the key properties of N-benzyl-2-bromo-4-fluoroaniline?
N-benzyl-2-bromo-4-fluoroaniline has a molecular weight of 280.14 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-bromo-4-fluoroaniline is sourced from PubChem (CID 28938852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).