3,5-dibromo-1-[(4-chlorophenyl)methyl]indole

C15H10Br2ClN — CID 102364489

IUPAC3,5-dibromo-1-[(4-chlorophenyl)methyl]indole
SMILESClc1ccc(Cn2cc(Br)c3cc(Br)ccc32)cc1
InChIInChI=1S/C15H10Br2ClN/c16-11-3-6-15-13(7-11)14(17)9-19(15)8-10-1-4-12(18)5-2-10/h1-7,9H,8H2
InChIKeyFUPGGFIQILILCB-UHFFFAOYSA-N
MW399.51 g/mol
LogP5.87
Rot. Bonds2

About 3,5-dibromo-1-[(4-chlorophenyl)methyl]indole

3,5-dibromo-1-[(4-chlorophenyl)methyl]indole (PubChem CID 102364489) has the molecular formula C15H10Br2ClN and a molecular weight of 399.51 g/mol. Its IUPAC name is 3,5-dibromo-1-[(4-chlorophenyl)methyl]indole.

Molecular Properties

Compound Name3,5-dibromo-1-[(4-chlorophenyl)methyl]indole
PubChem CID102364489
Molecular FormulaC15H10Br2ClN
Molecular Weight399.51 g/mol
Exact Mass396.89
IUPAC Name3,5-dibromo-1-[(4-chlorophenyl)methyl]indole
SMILESClc1ccc(Cn2cc(Br)c3cc(Br)ccc32)cc1
InChIInChI=1S/C15H10Br2ClN/c16-11-3-6-15-13(7-11)14(17)9-19(15)8-10-1-4-12(18)5-2-10/h1-7,9H,8H2
InChIKeyFUPGGFIQILILCB-UHFFFAOYSA-N
XLogP5.87
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.51
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-1-[(4-chlorophenyl)methyl]indole?
The IUPAC name of 3,5-dibromo-1-[(4-chlorophenyl)methyl]indole (CID 102364489) is 3,5-dibromo-1-[(4-chlorophenyl)methyl]indole.
What is the SMILES notation for 3,5-dibromo-1-[(4-chlorophenyl)methyl]indole?
The canonical SMILES for 3,5-dibromo-1-[(4-chlorophenyl)methyl]indole is Clc1ccc(Cn2cc(Br)c3cc(Br)ccc32)cc1.
What is the InChIKey of 3,5-dibromo-1-[(4-chlorophenyl)methyl]indole?
The InChIKey is FUPGGFIQILILCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2ClN/c16-11-3-6-15-13(7-11)14(17)9-19(15)8-10-1-4-12(18)5-2-10/h1-7,9H,8H2.
What are the key properties of 3,5-dibromo-1-[(4-chlorophenyl)methyl]indole?
3,5-dibromo-1-[(4-chlorophenyl)methyl]indole has a molecular weight of 399.51 g/mol, XLogP of 5.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-1-[(4-chlorophenyl)methyl]indole is sourced from PubChem (CID 102364489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).