N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,5-dichloroaniline

C14H11BrCl3N — CID 82774360

IUPACN-[1-(4-bromo-2-chlorophenyl)ethyl]-3,5-dichloroaniline
SMILESCC(Nc1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H11BrCl3N/c1-8(13-3-2-9(15)4-14(13)18)19-12-6-10(16)5-11(17)7-12/h2-8,19H,1H3
InChIKeyACWXEIQLDMPNRV-UHFFFAOYSA-N
MW379.51 g/mol
LogP6.58
Rot. Bonds3

About N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,5-dichloroaniline

N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,5-dichloroaniline (PubChem CID 82774360) has the molecular formula C14H11BrCl3N and a molecular weight of 379.51 g/mol. Its IUPAC name is N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,5-dichloroaniline.

Molecular Properties

Compound NameN-[1-(4-bromo-2-chlorophenyl)ethyl]-3,5-dichloroaniline
PubChem CID82774360
Molecular FormulaC14H11BrCl3N
Molecular Weight379.51 g/mol
Exact Mass376.91
IUPAC NameN-[1-(4-bromo-2-chlorophenyl)ethyl]-3,5-dichloroaniline
SMILESCC(Nc1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H11BrCl3N/c1-8(13-3-2-9(15)4-14(13)18)19-12-6-10(16)5-11(17)7-12/h2-8,19H,1H3
InChIKeyACWXEIQLDMPNRV-UHFFFAOYSA-N
XLogP6.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.51
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,5-dimethylaniline
CID 82774709
3,5-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43099454
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,4-dimethylaniline
CID 82774264
4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-chloroaniline
CID 82773321
N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-chloro-3-fluoroaniline
CID 82773327
4-bromo-2-chloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43347271
2,5-dibromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]aniline
CID 82774723
4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylaniline
CID 82774797
4-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-fluorophenol
CID 82774122
2,4-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43683199
N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-chloro-3-nitroaniline
CID 82774955
2-[4-[1-(4-bromo-2-chlorophenyl)ethylamino]phenyl]acetamide
CID 82775381

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,5-dichloroaniline?
The IUPAC name of N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,5-dichloroaniline (CID 82774360) is N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,5-dichloroaniline.
What is the SMILES notation for N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,5-dichloroaniline?
The canonical SMILES for N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,5-dichloroaniline is CC(Nc1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1Cl.
What is the InChIKey of N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,5-dichloroaniline?
The InChIKey is ACWXEIQLDMPNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl3N/c1-8(13-3-2-9(15)4-14(13)18)19-12-6-10(16)5-11(17)7-12/h2-8,19H,1H3.
What are the key properties of N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,5-dichloroaniline?
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,5-dichloroaniline has a molecular weight of 379.51 g/mol, XLogP of 6.58, 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]-3,5-dichloroaniline is sourced from PubChem (CID 82774360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).