4-bromo-2,3-dichloro-N-(1H-indol-7-ylmethyl)aniline

C15H11BrCl2N2 — CID 107788084

IUPAC4-bromo-2,3-dichloro-N-(1H-indol-7-ylmethyl)aniline
SMILESClc1c(Br)ccc(NCc2cccc3cc[nH]c23)c1Cl
InChIInChI=1S/C15H11BrCl2N2/c16-11-4-5-12(14(18)13(11)17)20-8-10-3-1-2-9-6-7-19-15(9)10/h1-7,19-20H,8H2
InChIKeyIOXHCSWBIDPGFQ-UHFFFAOYSA-N
MW370.08 g/mol
LogP5.85
Rot. Bonds3

About 4-bromo-2,3-dichloro-N-(1H-indol-7-ylmethyl)aniline

4-bromo-2,3-dichloro-N-(1H-indol-7-ylmethyl)aniline (PubChem CID 107788084) has the molecular formula C15H11BrCl2N2 and a molecular weight of 370.08 g/mol. Its IUPAC name is 4-bromo-2,3-dichloro-N-(1H-indol-7-ylmethyl)aniline.

Molecular Properties

Compound Name4-bromo-2,3-dichloro-N-(1H-indol-7-ylmethyl)aniline
PubChem CID107788084
Molecular FormulaC15H11BrCl2N2
Molecular Weight370.08 g/mol
Exact Mass367.95
IUPAC Name4-bromo-2,3-dichloro-N-(1H-indol-7-ylmethyl)aniline
SMILESClc1c(Br)ccc(NCc2cccc3cc[nH]c23)c1Cl
InChIInChI=1S/C15H11BrCl2N2/c16-11-4-5-12(14(18)13(11)17)20-8-10-3-1-2-9-6-7-19-15(9)10/h1-7,19-20H,8H2
InChIKeyIOXHCSWBIDPGFQ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-fluoro-N-(1H-indol-7-ylmethyl)aniline
CID 102909203
2-bromo-N-(1H-indol-7-ylmethyl)-3-methylaniline
CID 102911661
4-bromo-2,6-dichloro-N-(1H-indol-7-ylmethyl)aniline
CID 102909422
3-bromo-N-(1H-indol-7-ylmethyl)aniline
CID 113268158
N-(1H-indol-7-ylmethyl)-4-iodo-2-methylaniline
CID 102909688
2,3,5-trifluoro-N-(1H-indol-7-ylmethyl)aniline
CID 102910790
4-bromo-N-[(2-bromo-4-chlorophenyl)methyl]-2,3-dichloroaniline
CID 107788034
4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2,3-dichloroaniline
CID 107787441
methyl 2-(1H-indol-7-ylmethylamino)benzoate
CID 102909440
2-ethoxy-N-(1H-indol-7-ylmethyl)pyridin-3-amine
CID 103823702
3-bromo-N-(1H-indol-7-ylmethyl)-5-methoxyaniline
CID 103876462
2-chloro-4-N-(1H-indol-7-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 103818948

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,3-dichloro-N-(1H-indol-7-ylmethyl)aniline?
The IUPAC name of 4-bromo-2,3-dichloro-N-(1H-indol-7-ylmethyl)aniline (CID 107788084) is 4-bromo-2,3-dichloro-N-(1H-indol-7-ylmethyl)aniline.
What is the SMILES notation for 4-bromo-2,3-dichloro-N-(1H-indol-7-ylmethyl)aniline?
The canonical SMILES for 4-bromo-2,3-dichloro-N-(1H-indol-7-ylmethyl)aniline is Clc1c(Br)ccc(NCc2cccc3cc[nH]c23)c1Cl.
What is the InChIKey of 4-bromo-2,3-dichloro-N-(1H-indol-7-ylmethyl)aniline?
The InChIKey is IOXHCSWBIDPGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrCl2N2/c16-11-4-5-12(14(18)13(11)17)20-8-10-3-1-2-9-6-7-19-15(9)10/h1-7,19-20H,8H2.
What are the key properties of 4-bromo-2,3-dichloro-N-(1H-indol-7-ylmethyl)aniline?
4-bromo-2,3-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-2,3-dichloro-N-(1H-indol-7-ylmethyl)aniline is sourced from PubChem (CID 107788084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).