2-(1-benzyl-2-bromo-5-methoxyindol-3-yl)acetamide

C18H17BrN2O2 — CID 10809342

IUPAC2-(1-benzyl-2-bromo-5-methoxyindol-3-yl)acetamide
SMILESCOc1ccc2c(c1)c(CC(N)=O)c(Br)n2Cc1ccccc1
InChIInChI=1S/C18H17BrN2O2/c1-23-13-7-8-16-14(9-13)15(10-17(20)22)18(19)21(16)11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H2,20,22)
InChIKeyLOALWRKDHWJUPZ-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.49
Rot. Bonds5

About 2-(1-benzyl-2-bromo-5-methoxyindol-3-yl)acetamide

2-(1-benzyl-2-bromo-5-methoxyindol-3-yl)acetamide (PubChem CID 10809342) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is 2-(1-benzyl-2-bromo-5-methoxyindol-3-yl)acetamide.

Molecular Properties

Compound Name2-(1-benzyl-2-bromo-5-methoxyindol-3-yl)acetamide
PubChem CID10809342
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC Name2-(1-benzyl-2-bromo-5-methoxyindol-3-yl)acetamide
SMILESCOc1ccc2c(c1)c(CC(N)=O)c(Br)n2Cc1ccccc1
InChIInChI=1S/C18H17BrN2O2/c1-23-13-7-8-16-14(9-13)15(10-17(20)22)18(19)21(16)11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H2,20,22)
InChIKeyLOALWRKDHWJUPZ-UHFFFAOYSA-N
XLogP3.49
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-2-bromo-5-methoxyindol-3-yl)acetamide?
The IUPAC name of 2-(1-benzyl-2-bromo-5-methoxyindol-3-yl)acetamide (CID 10809342) is 2-(1-benzyl-2-bromo-5-methoxyindol-3-yl)acetamide.
What is the SMILES notation for 2-(1-benzyl-2-bromo-5-methoxyindol-3-yl)acetamide?
The canonical SMILES for 2-(1-benzyl-2-bromo-5-methoxyindol-3-yl)acetamide is COc1ccc2c(c1)c(CC(N)=O)c(Br)n2Cc1ccccc1.
What is the InChIKey of 2-(1-benzyl-2-bromo-5-methoxyindol-3-yl)acetamide?
The InChIKey is LOALWRKDHWJUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c1-23-13-7-8-16-14(9-13)15(10-17(20)22)18(19)21(16)11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H2,20,22).
What are the key properties of 2-(1-benzyl-2-bromo-5-methoxyindol-3-yl)acetamide?
2-(1-benzyl-2-bromo-5-methoxyindol-3-yl)acetamide has a molecular weight of 373.25 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-2-bromo-5-methoxyindol-3-yl)acetamide is sourced from PubChem (CID 10809342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).