N,N-dibenzyl-5-bromo-2-fluoroaniline

C20H17BrFN — CID 67207617

IUPACN,N-dibenzyl-5-bromo-2-fluoroaniline
SMILESFc1ccc(Br)cc1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H17BrFN/c21-18-11-12-19(22)20(13-18)23(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-13H,14-15H2
InChIKeyJALLBZDSTHJEEU-UHFFFAOYSA-N
MW370.27 g/mol
LogP5.80
Rot. Bonds5

About N,N-dibenzyl-5-bromo-2-fluoroaniline

N,N-dibenzyl-5-bromo-2-fluoroaniline (PubChem CID 67207617) has the molecular formula C20H17BrFN and a molecular weight of 370.27 g/mol. Its IUPAC name is N,N-dibenzyl-5-bromo-2-fluoroaniline.

Molecular Properties

Compound NameN,N-dibenzyl-5-bromo-2-fluoroaniline
PubChem CID67207617
Molecular FormulaC20H17BrFN
Molecular Weight370.27 g/mol
Exact Mass369.05
IUPAC NameN,N-dibenzyl-5-bromo-2-fluoroaniline
SMILESFc1ccc(Br)cc1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H17BrFN/c21-18-11-12-19(22)20(13-18)23(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-13H,14-15H2
InChIKeyJALLBZDSTHJEEU-UHFFFAOYSA-N
XLogP5.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.27
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-5-bromo-2-fluoroaniline?
The IUPAC name of N,N-dibenzyl-5-bromo-2-fluoroaniline (CID 67207617) is N,N-dibenzyl-5-bromo-2-fluoroaniline.
What is the SMILES notation for N,N-dibenzyl-5-bromo-2-fluoroaniline?
The canonical SMILES for N,N-dibenzyl-5-bromo-2-fluoroaniline is Fc1ccc(Br)cc1N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-5-bromo-2-fluoroaniline?
The InChIKey is JALLBZDSTHJEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrFN/c21-18-11-12-19(22)20(13-18)23(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-13H,14-15H2.
What are the key properties of N,N-dibenzyl-5-bromo-2-fluoroaniline?
N,N-dibenzyl-5-bromo-2-fluoroaniline has a molecular weight of 370.27 g/mol, XLogP of 5.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-5-bromo-2-fluoroaniline is sourced from PubChem (CID 67207617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).