4-bromo-N-[1-(2,4-dibromophenyl)ethyl]-2-fluoroaniline

C14H11Br3FN — CID 60781277

IUPAC4-bromo-N-[1-(2,4-dibromophenyl)ethyl]-2-fluoroaniline
SMILESCC(Nc1ccc(Br)cc1F)c1ccc(Br)cc1Br
InChIInChI=1S/C14H11Br3FN/c1-8(11-4-2-9(15)6-12(11)17)19-14-5-3-10(16)7-13(14)18/h2-8,19H,1H3
InChIKeyUTAQWKLRXSCMTQ-UHFFFAOYSA-N
MW451.96 g/mol
LogP6.29
Rot. Bonds3

About 4-bromo-N-[1-(2,4-dibromophenyl)ethyl]-2-fluoroaniline

4-bromo-N-[1-(2,4-dibromophenyl)ethyl]-2-fluoroaniline (PubChem CID 60781277) has the molecular formula C14H11Br3FN and a molecular weight of 451.96 g/mol. Its IUPAC name is 4-bromo-N-[1-(2,4-dibromophenyl)ethyl]-2-fluoroaniline.

Molecular Properties

Compound Name4-bromo-N-[1-(2,4-dibromophenyl)ethyl]-2-fluoroaniline
PubChem CID60781277
Molecular FormulaC14H11Br3FN
Molecular Weight451.96 g/mol
Exact Mass448.84
IUPAC Name4-bromo-N-[1-(2,4-dibromophenyl)ethyl]-2-fluoroaniline
SMILESCC(Nc1ccc(Br)cc1F)c1ccc(Br)cc1Br
InChIInChI=1S/C14H11Br3FN/c1-8(11-4-2-9(15)6-12(11)17)19-14-5-3-10(16)7-13(14)18/h2-8,19H,1H3
InChIKeyUTAQWKLRXSCMTQ-UHFFFAOYSA-N
XLogP6.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.96
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-bromo-N-[1-(2,4-dibromophenyl)ethyl]-2-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-methylaniline
CID 82962050
4-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-fluoroaniline
CID 43111824
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoro-4-methylaniline
CID 82964740
2,4,6-tribromo-N-[1-(2,4-dibromophenyl)ethyl]aniline
CID 63425379
N-[1-(2-bromophenyl)ethyl]-2,4-difluoroaniline
CID 43195353
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-chloro-4-methylaniline
CID 82963042
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-propan-2-ylaniline
CID 82961349
2,4-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43683199
5-bromo-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoroaniline
CID 82963196
4-bromo-2-fluoro-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 43192619
2,4-dibromo-N-[1-(4-bromo-2-fluorophenyl)ethyl]-5-methoxyaniline
CID 103411845
4-chloro-2-N-[1-(2,4-dibromophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 60782071

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(2,4-dibromophenyl)ethyl]-2-fluoroaniline?
The IUPAC name of 4-bromo-N-[1-(2,4-dibromophenyl)ethyl]-2-fluoroaniline (CID 60781277) is 4-bromo-N-[1-(2,4-dibromophenyl)ethyl]-2-fluoroaniline.
What is the SMILES notation for 4-bromo-N-[1-(2,4-dibromophenyl)ethyl]-2-fluoroaniline?
The canonical SMILES for 4-bromo-N-[1-(2,4-dibromophenyl)ethyl]-2-fluoroaniline is CC(Nc1ccc(Br)cc1F)c1ccc(Br)cc1Br.
What is the InChIKey of 4-bromo-N-[1-(2,4-dibromophenyl)ethyl]-2-fluoroaniline?
The InChIKey is UTAQWKLRXSCMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br3FN/c1-8(11-4-2-9(15)6-12(11)17)19-14-5-3-10(16)7-13(14)18/h2-8,19H,1H3.
What are the key properties of 4-bromo-N-[1-(2,4-dibromophenyl)ethyl]-2-fluoroaniline?
4-bromo-N-[1-(2,4-dibromophenyl)ethyl]-2-fluoroaniline has a molecular weight of 451.96 g/mol, XLogP of 6.29, 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-(2,4-dibromophenyl)ethyl]-2-fluoroaniline is sourced from PubChem (CID 60781277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).