N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,4-dichloroaniline

C14H11BrCl2FN — CID 43758735

IUPACN-[1-(3-bromo-4-fluorophenyl)ethyl]-2,4-dichloroaniline
SMILESCC(Nc1ccc(Cl)cc1Cl)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H11BrCl2FN/c1-8(9-2-4-13(18)11(15)6-9)19-14-5-3-10(16)7-12(14)17/h2-8,19H,1H3
InChIKeyCBJPWVNUDGEWCZ-UHFFFAOYSA-N
MW363.06 g/mol
LogP6.07
Rot. Bonds3

About N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,4-dichloroaniline

N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,4-dichloroaniline (PubChem CID 43758735) has the molecular formula C14H11BrCl2FN and a molecular weight of 363.06 g/mol. Its IUPAC name is N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,4-dichloroaniline.

Molecular Properties

Compound NameN-[1-(3-bromo-4-fluorophenyl)ethyl]-2,4-dichloroaniline
PubChem CID43758735
Molecular FormulaC14H11BrCl2FN
Molecular Weight363.06 g/mol
Exact Mass360.94
IUPAC NameN-[1-(3-bromo-4-fluorophenyl)ethyl]-2,4-dichloroaniline
SMILESCC(Nc1ccc(Cl)cc1Cl)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H11BrCl2FN/c1-8(9-2-4-13(18)11(15)6-9)19-14-5-3-10(16)7-12(14)17/h2-8,19H,1H3
InChIKeyCBJPWVNUDGEWCZ-UHFFFAOYSA-N
XLogP6.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.06
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-chloroaniline
CID 43774962
N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-chloro-2-fluoroaniline
CID 43785117
N-[1-(3-bromo-4-fluorophenyl)ethyl]-5-chloro-2-methylaniline
CID 43755252
2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-3-chloroaniline
CID 103478235
2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-methylaniline
CID 43757717
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
4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43347291
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-chloro-2-fluoroaniline
CID 43785070
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,3,5-trifluoroaniline
CID 63477170
2,4-dichloro-N-(1-naphthalen-2-ylethyl)aniline
CID 43097452
2,4-dichloro-N-(1-phenylethyl)aniline
CID 43082155

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,4-dichloroaniline?
The IUPAC name of N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,4-dichloroaniline (CID 43758735) is N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,4-dichloroaniline.
What is the SMILES notation for N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,4-dichloroaniline?
The canonical SMILES for N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,4-dichloroaniline is CC(Nc1ccc(Cl)cc1Cl)c1ccc(F)c(Br)c1.
What is the InChIKey of N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,4-dichloroaniline?
The InChIKey is CBJPWVNUDGEWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2FN/c1-8(9-2-4-13(18)11(15)6-9)19-14-5-3-10(16)7-12(14)17/h2-8,19H,1H3.
What are the key properties of N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,4-dichloroaniline?
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,4-dichloroaniline has a molecular weight of 363.06 g/mol, XLogP of 6.07, 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]-2,4-dichloroaniline is sourced from PubChem (CID 43758735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).