4-bromo-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,6-difluoroaniline

C14H10BrClF3N — CID 65469865

IUPAC4-bromo-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,6-difluoroaniline
SMILESCC(Nc1c(F)cc(Br)cc1F)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H10BrClF3N/c1-7(8-2-3-11(17)10(16)4-8)20-14-12(18)5-9(15)6-13(14)19/h2-7,20H,1H3
InChIKeyMATBSQHMUIHLHJ-UHFFFAOYSA-N
MW364.59 g/mol
LogP5.69
Rot. Bonds3

About 4-bromo-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,6-difluoroaniline

4-bromo-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,6-difluoroaniline (PubChem CID 65469865) has the molecular formula C14H10BrClF3N and a molecular weight of 364.59 g/mol. Its IUPAC name is 4-bromo-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,6-difluoroaniline.

Molecular Properties

Compound Name4-bromo-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,6-difluoroaniline
PubChem CID65469865
Molecular FormulaC14H10BrClF3N
Molecular Weight364.59 g/mol
Exact Mass362.96
IUPAC Name4-bromo-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,6-difluoroaniline
SMILESCC(Nc1c(F)cc(Br)cc1F)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H10BrClF3N/c1-7(8-2-3-11(17)10(16)4-8)20-14-12(18)5-9(15)6-13(14)19/h2-7,20H,1H3
InChIKeyMATBSQHMUIHLHJ-UHFFFAOYSA-N
XLogP5.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.59
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,3,5,6-tetrafluoroaniline
CID 107643726
(1S)-1-(4-bromophenyl)-N-[1-(3-chloro-4-fluorophenyl)ethyl]ethanamine
CID 81354920
N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,6-difluoro-3-methylaniline
CID 82815461
N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-chlorophenyl)ethanamine
CID 43108630
4-bromo-2,6-difluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 65469450
4-bromo-2,6-dichloro-N-[1-(3,4-dichlorophenyl)ethyl]aniline
CID 63425757
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,4,6-trifluoroaniline
CID 83069311
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,6-dichloro-4-fluoroaniline
CID 83076232
(1R)-N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81351513
4-bromo-N-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylaniline
CID 63448815
N-[1-(3-chloro-4-fluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine
CID 43204543
4-bromo-N-[1-(4-bromophenyl)ethyl]-2,6-dichloroaniline
CID 43126639

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,6-difluoroaniline?
The IUPAC name of 4-bromo-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,6-difluoroaniline (CID 65469865) is 4-bromo-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,6-difluoroaniline.
What is the SMILES notation for 4-bromo-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,6-difluoroaniline?
The canonical SMILES for 4-bromo-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,6-difluoroaniline is CC(Nc1c(F)cc(Br)cc1F)c1ccc(F)c(Cl)c1.
What is the InChIKey of 4-bromo-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,6-difluoroaniline?
The InChIKey is MATBSQHMUIHLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF3N/c1-7(8-2-3-11(17)10(16)4-8)20-14-12(18)5-9(15)6-13(14)19/h2-7,20H,1H3.
What are the key properties of 4-bromo-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,6-difluoroaniline?
4-bromo-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,6-difluoroaniline has a molecular weight of 364.59 g/mol, XLogP of 5.69, 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-chloro-4-fluorophenyl)ethyl]-2,6-difluoroaniline is sourced from PubChem (CID 65469865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).