N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluoroaniline

C14H12BrClFN — CID 43150522

IUPACN-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluoroaniline
SMILESCC(Nc1ccc(F)cc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrClFN/c1-9(10-2-4-11(15)5-3-10)18-14-7-6-12(17)8-13(14)16/h2-9,18H,1H3
InChIKeyLSQPTBUBAJQCFK-UHFFFAOYSA-N
MW328.61 g/mol
LogP5.41
Rot. Bonds3

About N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluoroaniline

N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluoroaniline (PubChem CID 43150522) has the molecular formula C14H12BrClFN and a molecular weight of 328.61 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluoroaniline.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluoroaniline
PubChem CID43150522
Molecular FormulaC14H12BrClFN
Molecular Weight328.61 g/mol
Exact Mass326.98
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluoroaniline
SMILESCC(Nc1ccc(F)cc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrClFN/c1-9(10-2-4-11(15)5-3-10)18-14-7-6-12(17)8-13(14)16/h2-9,18H,1H3
InChIKeyLSQPTBUBAJQCFK-UHFFFAOYSA-N
XLogP5.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.61
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-4-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43088282
4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43347291
N-[1-(4-bromophenyl)propyl]-2-chloro-4-fluoroaniline
CID 43150469
2-N-[1-(4-bromophenyl)ethyl]-4-fluorobenzene-1,2-diamine
CID 55068059
4-[1-(4-bromo-2-chloroanilino)ethyl]phenol
CID 43347292
4-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-chloroaniline
CID 43774962
2-chloro-4-fluoro-N-(1-naphthalen-2-ylethyl)aniline
CID 43150506
[4-[1-(2-chloro-4-fluoroanilino)ethyl]phenyl]urea
CID 43774024
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,4-dichloroaniline
CID 43758735
2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methylaniline
CID 43772675
2,4-dibromo-N-[1-(4-bromophenyl)ethyl]aniline
CID 43683094
2-bromo-5-chloro-N-[1-(4-fluorophenyl)ethyl]-4-methylaniline
CID 104722878

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluoroaniline?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluoroaniline (CID 43150522) is N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluoroaniline.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluoroaniline?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluoroaniline is CC(Nc1ccc(F)cc1Cl)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluoroaniline?
The InChIKey is LSQPTBUBAJQCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFN/c1-9(10-2-4-11(15)5-3-10)18-14-7-6-12(17)8-13(14)16/h2-9,18H,1H3.
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluoroaniline?
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluoroaniline has a molecular weight of 328.61 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluoroaniline is sourced from PubChem (CID 43150522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).