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

C14H11Br2ClFN — CID 103478235

IUPAC2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-3-chloroaniline
SMILESCC(Nc1cccc(Cl)c1Br)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H11Br2ClFN/c1-8(9-5-6-12(18)10(15)7-9)19-13-4-2-3-11(17)14(13)16/h2-8,19H,1H3
InChIKeyBAIMOXAXVCVVPT-UHFFFAOYSA-N
MW407.51 g/mol
LogP6.18
Rot. Bonds3

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

2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-3-chloroaniline (PubChem CID 103478235) has the molecular formula C14H11Br2ClFN and a molecular weight of 407.51 g/mol. Its IUPAC name is 2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-3-chloroaniline.

Molecular Properties

Compound Name2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-3-chloroaniline
PubChem CID103478235
Molecular FormulaC14H11Br2ClFN
Molecular Weight407.51 g/mol
Exact Mass404.89
IUPAC Name2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-3-chloroaniline
SMILESCC(Nc1cccc(Cl)c1Br)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H11Br2ClFN/c1-8(9-5-6-12(18)10(15)7-9)19-13-4-2-3-11(17)14(13)16/h2-8,19H,1H3
InChIKeyBAIMOXAXVCVVPT-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

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

2-bromo-3-chloro-N-[1-(3,4-difluorophenyl)ethyl]aniline
CID 103477852
2-bromo-3-chloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 103478545
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,4-dichloroaniline
CID 43758735
3-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-methylaniline
CID 107630093
N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-chloro-2-fluoroaniline
CID 43785117
4-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-chloroaniline
CID 43774962
N-[1-(3-bromo-4-fluorophenyl)ethyl]-5-chloro-2-methylaniline
CID 43755252
3-[1-(2-bromo-3-chloroanilino)ethyl]phenol
CID 103477986
2-bromo-N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-methylaniline
CID 83069708
3-chloro-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-fluoroaniline
CID 43122894
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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-3-chloroaniline?
The IUPAC name of 2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-3-chloroaniline (CID 103478235) is 2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-3-chloroaniline.
What is the SMILES notation for 2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-3-chloroaniline?
The canonical SMILES for 2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-3-chloroaniline is CC(Nc1cccc(Cl)c1Br)c1ccc(F)c(Br)c1.
What is the InChIKey of 2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-3-chloroaniline?
The InChIKey is BAIMOXAXVCVVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2ClFN/c1-8(9-5-6-12(18)10(15)7-9)19-13-4-2-3-11(17)14(13)16/h2-8,19H,1H3.
What are the key properties of 2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-3-chloroaniline?
2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-3-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 2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-3-chloroaniline is sourced from PubChem (CID 103478235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).