1,3-benzodioxol-5-yl-(5-bromo-1H-indol-3-yl)methanone

C16H10BrNO3 — CID 43340423

IUPAC1,3-benzodioxol-5-yl-(5-bromo-1H-indol-3-yl)methanone
SMILESO=C(c1ccc2c(c1)OCO2)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C16H10BrNO3/c17-10-2-3-13-11(6-10)12(7-18-13)16(19)9-1-4-14-15(5-9)21-8-20-14/h1-7,18H,8H2
InChIKeyVSVYHKIJKPEKIB-UHFFFAOYSA-N
MW344.16 g/mol
LogP3.89
Rot. Bonds2

About 1,3-benzodioxol-5-yl-(5-bromo-1H-indol-3-yl)methanone

1,3-benzodioxol-5-yl-(5-bromo-1H-indol-3-yl)methanone (PubChem CID 43340423) has the molecular formula C16H10BrNO3 and a molecular weight of 344.16 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-(5-bromo-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-(5-bromo-1H-indol-3-yl)methanone
PubChem CID43340423
Molecular FormulaC16H10BrNO3
Molecular Weight344.16 g/mol
Exact Mass342.98
IUPAC Name1,3-benzodioxol-5-yl-(5-bromo-1H-indol-3-yl)methanone
SMILESO=C(c1ccc2c(c1)OCO2)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C16H10BrNO3/c17-10-2-3-13-11(6-10)12(7-18-13)16(19)9-1-4-14-15(5-9)21-8-20-14/h1-7,18H,8H2
InChIKeyVSVYHKIJKPEKIB-UHFFFAOYSA-N
XLogP3.89
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.16
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-(5-bromo-1H-indol-3-yl)methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-(5-bromo-1H-indol-3-yl)methanone (CID 43340423) is 1,3-benzodioxol-5-yl-(5-bromo-1H-indol-3-yl)methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-(5-bromo-1H-indol-3-yl)methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-(5-bromo-1H-indol-3-yl)methanone is O=C(c1ccc2c(c1)OCO2)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 1,3-benzodioxol-5-yl-(5-bromo-1H-indol-3-yl)methanone?
The InChIKey is VSVYHKIJKPEKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrNO3/c17-10-2-3-13-11(6-10)12(7-18-13)16(19)9-1-4-14-15(5-9)21-8-20-14/h1-7,18H,8H2.
What are the key properties of 1,3-benzodioxol-5-yl-(5-bromo-1H-indol-3-yl)methanone?
1,3-benzodioxol-5-yl-(5-bromo-1H-indol-3-yl)methanone has a molecular weight of 344.16 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-(5-bromo-1H-indol-3-yl)methanone is sourced from PubChem (CID 43340423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).