4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-chloroaniline

C14H11Br2Cl2N — CID 82773321

IUPAC4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-chloroaniline
SMILESCC(Nc1ccc(Br)cc1Cl)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H11Br2Cl2N/c1-8(11-4-2-9(15)6-12(11)17)19-14-5-3-10(16)7-13(14)18/h2-8,19H,1H3
InChIKeyLMUMHGVRJLUNPS-UHFFFAOYSA-N
MW423.96 g/mol
LogP6.69
Rot. Bonds3

About 4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-chloroaniline

4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-chloroaniline (PubChem CID 82773321) has the molecular formula C14H11Br2Cl2N and a molecular weight of 423.96 g/mol. Its IUPAC name is 4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-chloroaniline.

Molecular Properties

Compound Name4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-chloroaniline
PubChem CID82773321
Molecular FormulaC14H11Br2Cl2N
Molecular Weight423.96 g/mol
Exact Mass420.86
IUPAC Name4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-chloroaniline
SMILESCC(Nc1ccc(Br)cc1Cl)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H11Br2Cl2N/c1-8(11-4-2-9(15)6-12(11)17)19-14-5-3-10(16)7-13(14)18/h2-8,19H,1H3
InChIKeyLMUMHGVRJLUNPS-UHFFFAOYSA-N
XLogP6.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.96
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-chloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43347271
4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylaniline
CID 82774797
2,5-dibromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]aniline
CID 82774723
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,5-dimethylaniline
CID 82774709
2,4-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43683199
2-[1-(4-bromo-2-chloroanilino)ethyl]-5-methylphenol
CID 43168129
4-bromo-2-chloro-N-propan-2-ylaniline
CID 43236856
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-chloro-4-methylaniline
CID 82963042
4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43347291
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,5-dichloroaniline
CID 82774360
1-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 82773923
2-[1-(4-bromo-2-chloroanilino)ethyl]-5-methoxyphenol
CID 43168127

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-chloroaniline?
The IUPAC name of 4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-chloroaniline (CID 82773321) is 4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-chloroaniline.
What is the SMILES notation for 4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-chloroaniline?
The canonical SMILES for 4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-chloroaniline is CC(Nc1ccc(Br)cc1Cl)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-chloroaniline?
The InChIKey is LMUMHGVRJLUNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2Cl2N/c1-8(11-4-2-9(15)6-12(11)17)19-14-5-3-10(16)7-13(14)18/h2-8,19H,1H3.
What are the key properties of 4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-chloroaniline?
4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-chloroaniline has a molecular weight of 423.96 g/mol, XLogP of 6.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-chloroaniline is sourced from PubChem (CID 82773321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).