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

C14H10BrCl2F2N — CID 83076232

IUPACN-[1-(3-bromo-4-fluorophenyl)ethyl]-2,6-dichloro-4-fluoroaniline
SMILESCC(Nc1c(Cl)cc(F)cc1Cl)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H10BrCl2F2N/c1-7(8-2-3-13(19)10(15)4-8)20-14-11(16)5-9(18)6-12(14)17/h2-7,20H,1H3
InChIKeyKYKCPFXDMMIPOK-UHFFFAOYSA-N
MW381.05 g/mol
LogP6.21
Rot. Bonds3

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

N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,6-dichloro-4-fluoroaniline (PubChem CID 83076232) has the molecular formula C14H10BrCl2F2N and a molecular weight of 381.05 g/mol. Its IUPAC name is N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,6-dichloro-4-fluoroaniline.

Molecular Properties

Compound NameN-[1-(3-bromo-4-fluorophenyl)ethyl]-2,6-dichloro-4-fluoroaniline
PubChem CID83076232
Molecular FormulaC14H10BrCl2F2N
Molecular Weight381.05 g/mol
Exact Mass378.93
IUPAC NameN-[1-(3-bromo-4-fluorophenyl)ethyl]-2,6-dichloro-4-fluoroaniline
SMILESCC(Nc1c(Cl)cc(F)cc1Cl)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H10BrCl2F2N/c1-7(8-2-3-13(19)10(15)4-8)20-14-11(16)5-9(18)6-12(14)17/h2-7,20H,1H3
InChIKeyKYKCPFXDMMIPOK-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

2-bromo-6-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-fluoroaniline
CID 107610390
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,4-dichloroaniline
CID 43758735
N-[1-(3-bromo-4-fluorophenyl)ethyl]-3,5-dichloro-4-fluoroaniline
CID 107572700
2,6-dichloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-fluoroaniline
CID 83076291
N-[1-(3-bromo-4-fluorophenyl)ethyl]-5-chloro-2-methylaniline
CID 43755252
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]-2,3,5-trifluoroaniline
CID 63477170
2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-3-chloroaniline
CID 103478235
2-bromo-6-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]-4-fluoroaniline
CID 107610538
4-bromo-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,6-difluoroaniline
CID 65469865
4-[1-(2-bromo-6-chloro-4-fluoroanilino)ethyl]benzonitrile
CID 107610420

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,6-dichloro-4-fluoroaniline?
The IUPAC name of N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,6-dichloro-4-fluoroaniline (CID 83076232) is N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,6-dichloro-4-fluoroaniline.
What is the SMILES notation for N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,6-dichloro-4-fluoroaniline?
The canonical SMILES for N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,6-dichloro-4-fluoroaniline is CC(Nc1c(Cl)cc(F)cc1Cl)c1ccc(F)c(Br)c1.
What is the InChIKey of N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,6-dichloro-4-fluoroaniline?
The InChIKey is KYKCPFXDMMIPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2F2N/c1-7(8-2-3-13(19)10(15)4-8)20-14-11(16)5-9(18)6-12(14)17/h2-7,20H,1H3.
What are the key properties of N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,6-dichloro-4-fluoroaniline?
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,6-dichloro-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 N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,6-dichloro-4-fluoroaniline is sourced from PubChem (CID 83076232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).