2-bromo-N-(2-bromophenyl)-4-chloro-N-ethylaniline

C14H12Br2ClN — CID 4155482

IUPAC2-bromo-N-(2-bromophenyl)-4-chloro-N-ethylaniline
SMILESCCN(c1ccccc1Br)c1ccc(Cl)cc1Br
InChIInChI=1S/C14H12Br2ClN/c1-2-18(13-6-4-3-5-11(13)15)14-8-7-10(17)9-12(14)16/h3-9H,2H2,1H3
InChIKeyPCGATYLPGLMEBV-UHFFFAOYSA-N
MW389.52 g/mol
LogP6.02
Rot. Bonds3

About 2-bromo-N-(2-bromophenyl)-4-chloro-N-ethylaniline

2-bromo-N-(2-bromophenyl)-4-chloro-N-ethylaniline (PubChem CID 4155482) has the molecular formula C14H12Br2ClN and a molecular weight of 389.52 g/mol. Its IUPAC name is 2-bromo-N-(2-bromophenyl)-4-chloro-N-ethylaniline.

Molecular Properties

Compound Name2-bromo-N-(2-bromophenyl)-4-chloro-N-ethylaniline
PubChem CID4155482
Molecular FormulaC14H12Br2ClN
Molecular Weight389.52 g/mol
Exact Mass386.90
IUPAC Name2-bromo-N-(2-bromophenyl)-4-chloro-N-ethylaniline
SMILESCCN(c1ccccc1Br)c1ccc(Cl)cc1Br
InChIInChI=1S/C14H12Br2ClN/c1-2-18(13-6-4-3-5-11(13)15)14-8-7-10(17)9-12(14)16/h3-9H,2H2,1H3
InChIKeyPCGATYLPGLMEBV-UHFFFAOYSA-N
XLogP6.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.52
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-bromophenyl)-4-chloro-N-ethylaniline?
The IUPAC name of 2-bromo-N-(2-bromophenyl)-4-chloro-N-ethylaniline (CID 4155482) is 2-bromo-N-(2-bromophenyl)-4-chloro-N-ethylaniline.
What is the SMILES notation for 2-bromo-N-(2-bromophenyl)-4-chloro-N-ethylaniline?
The canonical SMILES for 2-bromo-N-(2-bromophenyl)-4-chloro-N-ethylaniline is CCN(c1ccccc1Br)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-N-(2-bromophenyl)-4-chloro-N-ethylaniline?
The InChIKey is PCGATYLPGLMEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2ClN/c1-2-18(13-6-4-3-5-11(13)15)14-8-7-10(17)9-12(14)16/h3-9H,2H2,1H3.
What are the key properties of 2-bromo-N-(2-bromophenyl)-4-chloro-N-ethylaniline?
2-bromo-N-(2-bromophenyl)-4-chloro-N-ethylaniline has a molecular weight of 389.52 g/mol, XLogP of 6.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-bromophenyl)-4-chloro-N-ethylaniline is sourced from PubChem (CID 4155482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).