N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-chloro-2-fluoroaniline

C14H11BrClF2N — CID 43785117

IUPACN-[1-(3-bromo-4-fluorophenyl)ethyl]-4-chloro-2-fluoroaniline
SMILESCC(Nc1ccc(Cl)cc1F)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H11BrClF2N/c1-8(9-2-4-12(17)11(15)6-9)19-14-5-3-10(16)7-13(14)18/h2-8,19H,1H3
InChIKeyYIBNMAISMVWMJM-UHFFFAOYSA-N
MW346.60 g/mol
LogP5.55
Rot. Bonds3

About N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-chloro-2-fluoroaniline

N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-chloro-2-fluoroaniline (PubChem CID 43785117) has the molecular formula C14H11BrClF2N and a molecular weight of 346.60 g/mol. Its IUPAC name is N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-chloro-2-fluoroaniline.

Molecular Properties

Compound NameN-[1-(3-bromo-4-fluorophenyl)ethyl]-4-chloro-2-fluoroaniline
PubChem CID43785117
Molecular FormulaC14H11BrClF2N
Molecular Weight346.60 g/mol
Exact Mass344.97
IUPAC NameN-[1-(3-bromo-4-fluorophenyl)ethyl]-4-chloro-2-fluoroaniline
SMILESCC(Nc1ccc(Cl)cc1F)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H11BrClF2N/c1-8(9-2-4-12(17)11(15)6-9)19-14-5-3-10(16)7-13(14)18/h2-8,19H,1H3
InChIKeyYIBNMAISMVWMJM-UHFFFAOYSA-N
XLogP5.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,4-dichloroaniline
CID 43758735
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-chloro-2-fluoroaniline
CID 43785070
N-[1-(3-bromo-4-fluorophenyl)ethyl]-5-chloro-2-methylaniline
CID 43755252
4-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-chloroaniline
CID 43774962
4-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43226871
N-[1-(4-tert-butylphenyl)ethyl]-4-chloro-2-fluoroaniline
CID 43716632
2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-methylaniline
CID 43757717
2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-3-chloroaniline
CID 103478235
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,3,5-trifluoroaniline
CID 63477170
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,6-dichloro-4-fluoroaniline
CID 83076232
N-[1-(3-bromo-4-fluorophenyl)ethyl]-3,5-dichloro-4-fluoroaniline
CID 107572700
3-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-methylaniline
CID 107630093

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-chloro-2-fluoroaniline?
The IUPAC name of N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-chloro-2-fluoroaniline (CID 43785117) is N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-chloro-2-fluoroaniline.
What is the SMILES notation for N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-chloro-2-fluoroaniline?
The canonical SMILES for N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-chloro-2-fluoroaniline is CC(Nc1ccc(Cl)cc1F)c1ccc(F)c(Br)c1.
What is the InChIKey of N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-chloro-2-fluoroaniline?
The InChIKey is YIBNMAISMVWMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClF2N/c1-8(9-2-4-12(17)11(15)6-9)19-14-5-3-10(16)7-13(14)18/h2-8,19H,1H3.
What are the key properties of N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-chloro-2-fluoroaniline?
N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-chloro-2-fluoroaniline has a molecular weight of 346.60 g/mol, XLogP of 5.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-chloro-2-fluoroaniline is sourced from PubChem (CID 43785117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).