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

C14H11Br2ClFN — CID 43774962

IUPAC4-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-chloroaniline
SMILESCC(Nc1ccc(Br)cc1Cl)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H11Br2ClFN/c1-8(9-2-4-13(18)11(16)6-9)19-14-5-3-10(15)7-12(14)17/h2-8,19H,1H3
InChIKeyXZUDJOCWCFZBDV-UHFFFAOYSA-N
MW407.51 g/mol
LogP6.18
Rot. Bonds3

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

4-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-chloroaniline (PubChem CID 43774962) has the molecular formula C14H11Br2ClFN and a molecular weight of 407.51 g/mol. Its IUPAC name is 4-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-chloroaniline.

Molecular Properties

Compound Name4-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-chloroaniline
PubChem CID43774962
Molecular FormulaC14H11Br2ClFN
Molecular Weight407.51 g/mol
Exact Mass404.89
IUPAC Name4-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-chloroaniline
SMILESCC(Nc1ccc(Br)cc1Cl)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H11Br2ClFN/c1-8(9-2-4-13(18)11(16)6-9)19-14-5-3-10(15)7-12(14)17/h2-8,19H,1H3
InChIKeyXZUDJOCWCFZBDV-UHFFFAOYSA-N
XLogP6.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.51
LogP ≤ 56.18
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
4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43347291
N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-chloro-2-fluoroaniline
CID 43785117
4-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-chloroaniline
CID 43774920
2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-3-chloroaniline
CID 103478235
N-[1-(3-bromo-4-fluorophenyl)ethyl]-5-chloro-2-methylaniline
CID 43755252
4-[1-(4-bromo-2-chloroanilino)ethyl]phenol
CID 43347292
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluoroaniline
CID 43150522
2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-methylaniline
CID 43757717
N-[1-(3-bromo-4-fluorophenyl)ethyl]-3,5-dichloro-4-fluoroaniline
CID 107572700
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,6-dichloro-4-fluoroaniline
CID 83076232
4-bromo-2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]aniline
CID 43347187

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-chloroaniline?
The IUPAC name of 4-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-chloroaniline (CID 43774962) is 4-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-chloroaniline.
What is the SMILES notation for 4-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-chloroaniline?
The canonical SMILES for 4-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-chloroaniline is CC(Nc1ccc(Br)cc1Cl)c1ccc(F)c(Br)c1.
What is the InChIKey of 4-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-chloroaniline?
The InChIKey is XZUDJOCWCFZBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2ClFN/c1-8(9-2-4-13(18)11(16)6-9)19-14-5-3-10(15)7-12(14)17/h2-8,19H,1H3.
What are the key properties of 4-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-chloroaniline?
4-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-chloroaniline has a molecular weight of 407.51 g/mol, XLogP of 6.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-chloroaniline is sourced from PubChem (CID 43774962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).