N-[2-(2-bromo-6-methoxyindol-1-yl)ethyl]propanamide

C14H17BrN2O2 — CID 10381652

IUPACN-[2-(2-bromo-6-methoxyindol-1-yl)ethyl]propanamide
SMILESCCC(=O)NCCn1c(Br)cc2ccc(OC)cc21
InChIInChI=1S/C14H17BrN2O2/c1-3-14(18)16-6-7-17-12-9-11(19-2)5-4-10(12)8-13(17)15/h4-5,8-9H,3,6-7H2,1-2H3,(H,16,18)
InChIKeyFAWBDXMORMETMR-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.94
Rot. Bonds5

About N-[2-(2-bromo-6-methoxyindol-1-yl)ethyl]propanamide

N-[2-(2-bromo-6-methoxyindol-1-yl)ethyl]propanamide (PubChem CID 10381652) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is N-[2-(2-bromo-6-methoxyindol-1-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(2-bromo-6-methoxyindol-1-yl)ethyl]propanamide
PubChem CID10381652
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC NameN-[2-(2-bromo-6-methoxyindol-1-yl)ethyl]propanamide
SMILESCCC(=O)NCCn1c(Br)cc2ccc(OC)cc21
InChIInChI=1S/C14H17BrN2O2/c1-3-14(18)16-6-7-17-12-9-11(19-2)5-4-10(12)8-13(17)15/h4-5,8-9H,3,6-7H2,1-2H3,(H,16,18)
InChIKeyFAWBDXMORMETMR-UHFFFAOYSA-N
XLogP2.94
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromo-6-methoxyindol-1-yl)ethyl]propanamide?
The IUPAC name of N-[2-(2-bromo-6-methoxyindol-1-yl)ethyl]propanamide (CID 10381652) is N-[2-(2-bromo-6-methoxyindol-1-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(2-bromo-6-methoxyindol-1-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(2-bromo-6-methoxyindol-1-yl)ethyl]propanamide is CCC(=O)NCCn1c(Br)cc2ccc(OC)cc21.
What is the InChIKey of N-[2-(2-bromo-6-methoxyindol-1-yl)ethyl]propanamide?
The InChIKey is FAWBDXMORMETMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-3-14(18)16-6-7-17-12-9-11(19-2)5-4-10(12)8-13(17)15/h4-5,8-9H,3,6-7H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(2-bromo-6-methoxyindol-1-yl)ethyl]propanamide?
N-[2-(2-bromo-6-methoxyindol-1-yl)ethyl]propanamide has a molecular weight of 325.21 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromo-6-methoxyindol-1-yl)ethyl]propanamide is sourced from PubChem (CID 10381652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).