N-[(4-bromo-2-fluorophenyl)methyl]-2,4-dichloroaniline

C13H9BrCl2FN — CID 43242981

IUPACN-[(4-bromo-2-fluorophenyl)methyl]-2,4-dichloroaniline
SMILESFc1cc(Br)ccc1CNc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H9BrCl2FN/c14-9-2-1-8(12(17)5-9)7-18-13-4-3-10(15)6-11(13)16/h1-6,18H,7H2
InChIKeyRFPVXIPPODEEOO-UHFFFAOYSA-N
MW349.03 g/mol
LogP5.51
Rot. Bonds3

About N-[(4-bromo-2-fluorophenyl)methyl]-2,4-dichloroaniline

N-[(4-bromo-2-fluorophenyl)methyl]-2,4-dichloroaniline (PubChem CID 43242981) has the molecular formula C13H9BrCl2FN and a molecular weight of 349.03 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)methyl]-2,4-dichloroaniline.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)methyl]-2,4-dichloroaniline
PubChem CID43242981
Molecular FormulaC13H9BrCl2FN
Molecular Weight349.03 g/mol
Exact Mass346.93
IUPAC NameN-[(4-bromo-2-fluorophenyl)methyl]-2,4-dichloroaniline
SMILESFc1cc(Br)ccc1CNc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H9BrCl2FN/c14-9-2-1-8(12(17)5-9)7-18-13-4-3-10(15)6-11(13)16/h1-6,18H,7H2
InChIKeyRFPVXIPPODEEOO-UHFFFAOYSA-N
XLogP5.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.03
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-2-fluoroaniline
CID 114841331
2,4-dichloro-N-[(2,4-dichlorophenyl)methyl]aniline
CID 13339999
N-[(4-bromo-2-fluorophenyl)methyl]-2,3-dichloroaniline
CID 43243000
N-[(4-bromo-2-fluorophenyl)methyl]-2-chloro-4,5-dimethoxyaniline
CID 43233998
N-[(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoroaniline
CID 113470951
N-[(4-bromo-2-fluorophenyl)methyl]-5-chloro-2-ethoxyaniline
CID 63450944
5-bromo-N-[(2,5-dichlorophenyl)methyl]-2-fluoroaniline
CID 65316210
N-[(5-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoroaniline
CID 114076415
N-[(4-bromo-2-fluorophenyl)methyl]-2-chloropyridin-3-amine
CID 43689958
4-bromo-2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline
CID 43410874
2-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-4-methylaniline
CID 114841500
N-[(2-bromo-4-fluorophenyl)methyl]-4-chloro-2-fluoroaniline
CID 63491887

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-2,4-dichloroaniline?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-2,4-dichloroaniline (CID 43242981) is N-[(4-bromo-2-fluorophenyl)methyl]-2,4-dichloroaniline.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)methyl]-2,4-dichloroaniline?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)methyl]-2,4-dichloroaniline is Fc1cc(Br)ccc1CNc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)methyl]-2,4-dichloroaniline?
The InChIKey is RFPVXIPPODEEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2FN/c14-9-2-1-8(12(17)5-9)7-18-13-4-3-10(15)6-11(13)16/h1-6,18H,7H2.
What are the key properties of N-[(4-bromo-2-fluorophenyl)methyl]-2,4-dichloroaniline?
N-[(4-bromo-2-fluorophenyl)methyl]-2,4-dichloroaniline has a molecular weight of 349.03 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluorophenyl)methyl]-2,4-dichloroaniline is sourced from PubChem (CID 43242981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).