4-bromo-1-[(3,4-dichlorophenyl)methyl]indole

C15H10BrCl2N — CID 116626065

IUPAC4-bromo-1-[(3,4-dichlorophenyl)methyl]indole
SMILESClc1ccc(Cn2ccc3c(Br)cccc32)cc1Cl
InChIInChI=1S/C15H10BrCl2N/c16-12-2-1-3-15-11(12)6-7-19(15)9-10-4-5-13(17)14(18)8-10/h1-8H,9H2
InChIKeyRNDXPGALNHIFIQ-UHFFFAOYSA-N
MW355.06 g/mol
LogP5.76
Rot. Bonds2

About 4-bromo-1-[(3,4-dichlorophenyl)methyl]indole

4-bromo-1-[(3,4-dichlorophenyl)methyl]indole (PubChem CID 116626065) has the molecular formula C15H10BrCl2N and a molecular weight of 355.06 g/mol. Its IUPAC name is 4-bromo-1-[(3,4-dichlorophenyl)methyl]indole.

Molecular Properties

Compound Name4-bromo-1-[(3,4-dichlorophenyl)methyl]indole
PubChem CID116626065
Molecular FormulaC15H10BrCl2N
Molecular Weight355.06 g/mol
Exact Mass352.94
IUPAC Name4-bromo-1-[(3,4-dichlorophenyl)methyl]indole
SMILESClc1ccc(Cn2ccc3c(Br)cccc32)cc1Cl
InChIInChI=1S/C15H10BrCl2N/c16-12-2-1-3-15-11(12)6-7-19(15)9-10-4-5-13(17)14(18)8-10/h1-8H,9H2
InChIKeyRNDXPGALNHIFIQ-UHFFFAOYSA-N
XLogP5.76
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.06
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(3,4-dichlorophenyl)methyl]indole?
The IUPAC name of 4-bromo-1-[(3,4-dichlorophenyl)methyl]indole (CID 116626065) is 4-bromo-1-[(3,4-dichlorophenyl)methyl]indole.
What is the SMILES notation for 4-bromo-1-[(3,4-dichlorophenyl)methyl]indole?
The canonical SMILES for 4-bromo-1-[(3,4-dichlorophenyl)methyl]indole is Clc1ccc(Cn2ccc3c(Br)cccc32)cc1Cl.
What is the InChIKey of 4-bromo-1-[(3,4-dichlorophenyl)methyl]indole?
The InChIKey is RNDXPGALNHIFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl2N/c16-12-2-1-3-15-11(12)6-7-19(15)9-10-4-5-13(17)14(18)8-10/h1-8H,9H2.
What are the key properties of 4-bromo-1-[(3,4-dichlorophenyl)methyl]indole?
4-bromo-1-[(3,4-dichlorophenyl)methyl]indole has a molecular weight of 355.06 g/mol, XLogP of 5.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(3,4-dichlorophenyl)methyl]indole is sourced from PubChem (CID 116626065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).