4-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-2-fluoroaniline

C13H9BrClF2N — CID 114841331

IUPAC4-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-2-fluoroaniline
SMILESFc1cc(Cl)ccc1CNc1ccc(Br)cc1F
InChIInChI=1S/C13H9BrClF2N/c14-9-2-4-13(12(17)5-9)18-7-8-1-3-10(15)6-11(8)16/h1-6,18H,7H2
InChIKeyYPAPTRJZKLZKHM-UHFFFAOYSA-N
MW332.58 g/mol
LogP4.99
Rot. Bonds3

About 4-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-2-fluoroaniline

4-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-2-fluoroaniline (PubChem CID 114841331) has the molecular formula C13H9BrClF2N and a molecular weight of 332.58 g/mol. Its IUPAC name is 4-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-2-fluoroaniline.

Molecular Properties

Compound Name4-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-2-fluoroaniline
PubChem CID114841331
Molecular FormulaC13H9BrClF2N
Molecular Weight332.58 g/mol
Exact Mass330.96
IUPAC Name4-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-2-fluoroaniline
SMILESFc1cc(Cl)ccc1CNc1ccc(Br)cc1F
InChIInChI=1S/C13H9BrClF2N/c14-9-2-4-13(12(17)5-9)18-7-8-1-3-10(15)6-11(8)16/h1-6,18H,7H2
InChIKeyYPAPTRJZKLZKHM-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.58
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-2-fluorophenyl)methyl]-2,4-dichloroaniline
CID 43242981
N-[(2-bromo-4-fluorophenyl)methyl]-4-chloro-2-fluoroaniline
CID 63491887
N-[(4-bromo-2-fluorophenyl)methyl]-5-chloro-2-ethoxyaniline
CID 63450944
N-[(4-bromo-2-fluorophenyl)methyl]-2,3-dichloroaniline
CID 43243000
N-[(4-bromo-2-fluorophenyl)methyl]-2-chloropyridin-3-amine
CID 43689958
N-[(4-chloro-2-fluorophenyl)methyl]-2-fluoro-4-nitroaniline
CID 114842224
4-bromo-N-[(2,3-difluorophenyl)methyl]-2-fluoroaniline
CID 43658804
5-bromo-N-[(2,5-dichlorophenyl)methyl]-2-fluoroaniline
CID 65316210
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]-2,5-dimethylaniline
CID 43242955
4-bromo-1-N-[(2,4-difluorophenyl)methyl]benzene-1,2-diamine
CID 62227743

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-2-fluoroaniline?
The IUPAC name of 4-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-2-fluoroaniline (CID 114841331) is 4-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-2-fluoroaniline.
What is the SMILES notation for 4-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-2-fluoroaniline?
The canonical SMILES for 4-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-2-fluoroaniline is Fc1cc(Cl)ccc1CNc1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-2-fluoroaniline?
The InChIKey is YPAPTRJZKLZKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClF2N/c14-9-2-4-13(12(17)5-9)18-7-8-1-3-10(15)6-11(8)16/h1-6,18H,7H2.
What are the key properties of 4-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-2-fluoroaniline?
4-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-2-fluoroaniline has a molecular weight of 332.58 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-2-fluoroaniline is sourced from PubChem (CID 114841331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).