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

C14H10BrCl2F2N — CID 107610390

IUPAC2-bromo-6-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-fluoroaniline
SMILESCC(Nc1c(Cl)cc(F)cc1Br)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H10BrCl2F2N/c1-7(8-2-3-11(16)13(19)4-8)20-14-10(15)5-9(18)6-12(14)17/h2-7,20H,1H3
InChIKeyGHWXISQNGLSABO-UHFFFAOYSA-N
MW381.05 g/mol
LogP6.21
Rot. Bonds3

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

2-bromo-6-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-fluoroaniline (PubChem CID 107610390) has the molecular formula C14H10BrCl2F2N and a molecular weight of 381.05 g/mol. Its IUPAC name is 2-bromo-6-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-fluoroaniline.

Molecular Properties

Compound Name2-bromo-6-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-fluoroaniline
PubChem CID107610390
Molecular FormulaC14H10BrCl2F2N
Molecular Weight381.05 g/mol
Exact Mass378.93
IUPAC Name2-bromo-6-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-fluoroaniline
SMILESCC(Nc1c(Cl)cc(F)cc1Br)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H10BrCl2F2N/c1-7(8-2-3-11(16)13(19)4-8)20-14-10(15)5-9(18)6-12(14)17/h2-7,20H,1H3
InChIKeyGHWXISQNGLSABO-UHFFFAOYSA-N
XLogP6.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.05
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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
2-bromo-6-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]-4-fluoroaniline
CID 107610538
4-[1-(2-bromo-6-chloro-4-fluoroanilino)ethyl]benzonitrile
CID 107610420
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,6-difluoroaniline
CID 83069531
2-bromo-N-but-3-yn-2-yl-6-chloro-4-fluoroaniline
CID 107611249
2-bromo-N-[1-(3-chlorophenyl)ethyl]-4,6-difluoroaniline
CID 43347591
2-[1-(2-bromo-6-chloro-4-fluoroanilino)ethyl]-5-methylphenol
CID 107610722
2,6-dichloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-fluoroaniline
CID 83076291
2-bromo-6-chloro-4-fluoro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
CID 107610244
4-bromo-N-[1-(4-chloro-3-fluorophenyl)ethyl]-3,5-dimethylaniline
CID 107571978
N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-fluoro-2-methylaniline
CID 83069686

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-fluoroaniline?
The IUPAC name of 2-bromo-6-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-fluoroaniline (CID 107610390) is 2-bromo-6-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-fluoroaniline.
What is the SMILES notation for 2-bromo-6-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-fluoroaniline?
The canonical SMILES for 2-bromo-6-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-fluoroaniline is CC(Nc1c(Cl)cc(F)cc1Br)c1ccc(Cl)c(F)c1.
What is the InChIKey of 2-bromo-6-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-fluoroaniline?
The InChIKey is GHWXISQNGLSABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2F2N/c1-7(8-2-3-11(16)13(19)4-8)20-14-10(15)5-9(18)6-12(14)17/h2-7,20H,1H3.
What are the key properties of 2-bromo-6-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-fluoroaniline?
2-bromo-6-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-fluoroaniline has a molecular weight of 381.05 g/mol, XLogP of 6.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-fluoroaniline is sourced from PubChem (CID 107610390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).