5-bromo-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoroaniline

C14H11Br2F2N — CID 82963196

IUPAC5-bromo-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoroaniline
SMILESCC(Nc1cc(Br)ccc1F)c1cc(Br)ccc1F
InChIInChI=1S/C14H11Br2F2N/c1-8(11-6-9(15)2-4-12(11)17)19-14-7-10(16)3-5-13(14)18/h2-8,19H,1H3
InChIKeyOWMCMNDHWDKQBB-UHFFFAOYSA-N
MW391.05 g/mol
LogP5.66
Rot. Bonds3

About 5-bromo-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoroaniline

5-bromo-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoroaniline (PubChem CID 82963196) has the molecular formula C14H11Br2F2N and a molecular weight of 391.05 g/mol. Its IUPAC name is 5-bromo-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoroaniline.

Molecular Properties

Compound Name5-bromo-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoroaniline
PubChem CID82963196
Molecular FormulaC14H11Br2F2N
Molecular Weight391.05 g/mol
Exact Mass388.92
IUPAC Name5-bromo-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoroaniline
SMILESCC(Nc1cc(Br)ccc1F)c1cc(Br)ccc1F
InChIInChI=1S/C14H11Br2F2N/c1-8(11-6-9(15)2-4-12(11)17)19-14-7-10(16)3-5-13(14)18/h2-8,19H,1H3
InChIKeyOWMCMNDHWDKQBB-UHFFFAOYSA-N
XLogP5.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.05
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoro-4-methylaniline
CID 82964740
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-iodoaniline
CID 82962732
4-[1-(5-bromo-2-fluoroanilino)ethyl]benzene-1,3-diol
CID 43555382
5-bromo-2-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43555398
N-[1-(2,5-difluorophenyl)ethyl]-2,5-difluoroaniline
CID 43192587
4-[1-(5-bromo-2-fluorophenyl)ethylamino]phenol
CID 82964843
5-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-2-fluoroaniline
CID 63423744
N-[1-(5-bromo-2-fluorophenyl)ethyl]-4-fluoro-3-methylaniline
CID 82964329
5-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline
CID 43555338
N-[1-(5-bromo-2-fluorophenyl)ethyl]-5-chloro-2-ethoxyaniline
CID 82963216
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-ethoxy-4-methylaniline
CID 82964942
5-bromo-2-fluoro-N-(1-thiophen-3-ylethyl)aniline
CID 62091558

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoroaniline?
The IUPAC name of 5-bromo-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoroaniline (CID 82963196) is 5-bromo-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoroaniline.
What is the SMILES notation for 5-bromo-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoroaniline?
The canonical SMILES for 5-bromo-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoroaniline is CC(Nc1cc(Br)ccc1F)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoroaniline?
The InChIKey is OWMCMNDHWDKQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2F2N/c1-8(11-6-9(15)2-4-12(11)17)19-14-7-10(16)3-5-13(14)18/h2-8,19H,1H3.
What are the key properties of 5-bromo-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoroaniline?
5-bromo-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoroaniline has a molecular weight of 391.05 g/mol, XLogP of 5.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoroaniline is sourced from PubChem (CID 82963196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).