4-bromo-2,6-dichloro-N-(1H-indol-7-ylmethyl)aniline

C15H11BrCl2N2 — CID 102909422

IUPAC4-bromo-2,6-dichloro-N-(1H-indol-7-ylmethyl)aniline
SMILESClc1cc(Br)cc(Cl)c1NCc1cccc2cc[nH]c12
InChIInChI=1S/C15H11BrCl2N2/c16-11-6-12(17)15(13(18)7-11)20-8-10-3-1-2-9-4-5-19-14(9)10/h1-7,19-20H,8H2
InChIKeyAKZBBMPJPSUKIZ-UHFFFAOYSA-N
MW370.08 g/mol
LogP5.85
Rot. Bonds3

About 4-bromo-2,6-dichloro-N-(1H-indol-7-ylmethyl)aniline

4-bromo-2,6-dichloro-N-(1H-indol-7-ylmethyl)aniline (PubChem CID 102909422) has the molecular formula C15H11BrCl2N2 and a molecular weight of 370.08 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(1H-indol-7-ylmethyl)aniline.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(1H-indol-7-ylmethyl)aniline
PubChem CID102909422
Molecular FormulaC15H11BrCl2N2
Molecular Weight370.08 g/mol
Exact Mass367.95
IUPAC Name4-bromo-2,6-dichloro-N-(1H-indol-7-ylmethyl)aniline
SMILESClc1cc(Br)cc(Cl)c1NCc1cccc2cc[nH]c12
InChIInChI=1S/C15H11BrCl2N2/c16-11-6-12(17)15(13(18)7-11)20-8-10-3-1-2-9-4-5-19-14(9)10/h1-7,19-20H,8H2
InChIKeyAKZBBMPJPSUKIZ-UHFFFAOYSA-N
XLogP5.85
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.08
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 4-bromo-2,6-dichloro-N-(1H-indol-7-ylmethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(1H-indol-7-ylmethyl)aniline?
The IUPAC name of 4-bromo-2,6-dichloro-N-(1H-indol-7-ylmethyl)aniline (CID 102909422) is 4-bromo-2,6-dichloro-N-(1H-indol-7-ylmethyl)aniline.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(1H-indol-7-ylmethyl)aniline?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(1H-indol-7-ylmethyl)aniline is Clc1cc(Br)cc(Cl)c1NCc1cccc2cc[nH]c12.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(1H-indol-7-ylmethyl)aniline?
The InChIKey is AKZBBMPJPSUKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrCl2N2/c16-11-6-12(17)15(13(18)7-11)20-8-10-3-1-2-9-4-5-19-14(9)10/h1-7,19-20H,8H2.
What are the key properties of 4-bromo-2,6-dichloro-N-(1H-indol-7-ylmethyl)aniline?
4-bromo-2,6-dichloro-N-(1H-indol-7-ylmethyl)aniline has a molecular weight of 370.08 g/mol, XLogP of 5.85, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(1H-indol-7-ylmethyl)aniline is sourced from PubChem (CID 102909422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).