5-bromo-2-chloro-N-[1-(2,5-difluorophenyl)ethyl]aniline

C14H11BrClF2N — CID 55191443

IUPAC5-bromo-2-chloro-N-[1-(2,5-difluorophenyl)ethyl]aniline
SMILESCC(Nc1cc(Br)ccc1Cl)c1cc(F)ccc1F
InChIInChI=1S/C14H11BrClF2N/c1-8(11-7-10(17)3-5-13(11)18)19-14-6-9(15)2-4-12(14)16/h2-8,19H,1H3
InChIKeyLBTXICHVIJNGEO-UHFFFAOYSA-N
MW346.60 g/mol
LogP5.55
Rot. Bonds3

About 5-bromo-2-chloro-N-[1-(2,5-difluorophenyl)ethyl]aniline

5-bromo-2-chloro-N-[1-(2,5-difluorophenyl)ethyl]aniline (PubChem CID 55191443) has the molecular formula C14H11BrClF2N and a molecular weight of 346.60 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[1-(2,5-difluorophenyl)ethyl]aniline.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[1-(2,5-difluorophenyl)ethyl]aniline
PubChem CID55191443
Molecular FormulaC14H11BrClF2N
Molecular Weight346.60 g/mol
Exact Mass344.97
IUPAC Name5-bromo-2-chloro-N-[1-(2,5-difluorophenyl)ethyl]aniline
SMILESCC(Nc1cc(Br)ccc1Cl)c1cc(F)ccc1F
InChIInChI=1S/C14H11BrClF2N/c1-8(11-7-10(17)3-5-13(11)18)19-14-6-9(15)2-4-12(14)16/h2-8,19H,1H3
InChIKeyLBTXICHVIJNGEO-UHFFFAOYSA-N
XLogP5.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[1-(2,5-difluorophenyl)ethyl]aniline?
The IUPAC name of 5-bromo-2-chloro-N-[1-(2,5-difluorophenyl)ethyl]aniline (CID 55191443) is 5-bromo-2-chloro-N-[1-(2,5-difluorophenyl)ethyl]aniline.
What is the SMILES notation for 5-bromo-2-chloro-N-[1-(2,5-difluorophenyl)ethyl]aniline?
The canonical SMILES for 5-bromo-2-chloro-N-[1-(2,5-difluorophenyl)ethyl]aniline is CC(Nc1cc(Br)ccc1Cl)c1cc(F)ccc1F.
What is the InChIKey of 5-bromo-2-chloro-N-[1-(2,5-difluorophenyl)ethyl]aniline?
The InChIKey is LBTXICHVIJNGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClF2N/c1-8(11-7-10(17)3-5-13(11)18)19-14-6-9(15)2-4-12(14)16/h2-8,19H,1H3.
What are the key properties of 5-bromo-2-chloro-N-[1-(2,5-difluorophenyl)ethyl]aniline?
5-bromo-2-chloro-N-[1-(2,5-difluorophenyl)ethyl]aniline has a molecular weight of 346.60 g/mol, XLogP of 5.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[1-(2,5-difluorophenyl)ethyl]aniline is sourced from PubChem (CID 55191443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).