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

C14H11BrCl2FN — CID 82773327

IUPACN-[1-(4-bromo-2-chlorophenyl)ethyl]-4-chloro-3-fluoroaniline
SMILESCC(Nc1ccc(Cl)c(F)c1)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H11BrCl2FN/c1-8(11-4-2-9(15)6-13(11)17)19-10-3-5-12(16)14(18)7-10/h2-8,19H,1H3
InChIKeyUUNGXMBHXYUKEF-UHFFFAOYSA-N
MW363.06 g/mol
LogP6.07
Rot. Bonds3

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

N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-chloro-3-fluoroaniline (PubChem CID 82773327) has the molecular formula C14H11BrCl2FN and a molecular weight of 363.06 g/mol. Its IUPAC name is N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-chloro-3-fluoroaniline.

Molecular Properties

Compound NameN-[1-(4-bromo-2-chlorophenyl)ethyl]-4-chloro-3-fluoroaniline
PubChem CID82773327
Molecular FormulaC14H11BrCl2FN
Molecular Weight363.06 g/mol
Exact Mass360.94
IUPAC NameN-[1-(4-bromo-2-chlorophenyl)ethyl]-4-chloro-3-fluoroaniline
SMILESCC(Nc1ccc(Cl)c(F)c1)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H11BrCl2FN/c1-8(11-4-2-9(15)6-13(11)17)19-10-3-5-12(16)14(18)7-10/h2-8,19H,1H3
InChIKeyUUNGXMBHXYUKEF-UHFFFAOYSA-N
XLogP6.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.06
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-fluorophenol
CID 82774122
N-[1-(4-bromophenyl)ethyl]-4-chloro-3-fluoroaniline
CID 43721439
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,4-dimethylaniline
CID 82774264
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,5-dichloroaniline
CID 82774360
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,5-dimethylaniline
CID 82774709
N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-chloro-3-nitroaniline
CID 82774955
3-bromo-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]aniline
CID 43762868
4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-chloroaniline
CID 82773321
N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-chloro-4-methoxyaniline
CID 82962595
5-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-fluoro-2-methylaniline
CID 107591478
4-bromo-3-chloro-N-[1-(2,4-dibromophenyl)ethyl]aniline
CID 107618828
4-bromo-2-chloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43347271

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-chloro-3-fluoroaniline?
The IUPAC name of N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-chloro-3-fluoroaniline (CID 82773327) is N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-chloro-3-fluoroaniline.
What is the SMILES notation for N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-chloro-3-fluoroaniline?
The canonical SMILES for N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-chloro-3-fluoroaniline is CC(Nc1ccc(Cl)c(F)c1)c1ccc(Br)cc1Cl.
What is the InChIKey of N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-chloro-3-fluoroaniline?
The InChIKey is UUNGXMBHXYUKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2FN/c1-8(11-4-2-9(15)6-13(11)17)19-10-3-5-12(16)14(18)7-10/h2-8,19H,1H3.
What are the key properties of N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-chloro-3-fluoroaniline?
N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-chloro-3-fluoroaniline has a molecular weight of 363.06 g/mol, XLogP of 6.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-chloro-3-fluoroaniline is sourced from PubChem (CID 82773327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).