N-[2-(2-bromoindol-1-yl)ethyl]propanamide

C13H15BrN2O — CID 155546299

IUPACN-[2-(2-bromoindol-1-yl)ethyl]propanamide
SMILESCCC(=O)NCCn1c(Br)cc2ccccc21
InChIInChI=1S/C13H15BrN2O/c1-2-13(17)15-7-8-16-11-6-4-3-5-10(11)9-12(16)14/h3-6,9H,2,7-8H2,1H3,(H,15,17)
InChIKeyOQUBELQAULVUBC-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.93
Rot. Bonds4

About N-[2-(2-bromoindol-1-yl)ethyl]propanamide

N-[2-(2-bromoindol-1-yl)ethyl]propanamide (PubChem CID 155546299) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is N-[2-(2-bromoindol-1-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(2-bromoindol-1-yl)ethyl]propanamide
PubChem CID155546299
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC NameN-[2-(2-bromoindol-1-yl)ethyl]propanamide
SMILESCCC(=O)NCCn1c(Br)cc2ccccc21
InChIInChI=1S/C13H15BrN2O/c1-2-13(17)15-7-8-16-11-6-4-3-5-10(11)9-12(16)14/h3-6,9H,2,7-8H2,1H3,(H,15,17)
InChIKeyOQUBELQAULVUBC-UHFFFAOYSA-N
XLogP2.93
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoindol-1-yl)ethyl]propanamide?
The IUPAC name of N-[2-(2-bromoindol-1-yl)ethyl]propanamide (CID 155546299) is N-[2-(2-bromoindol-1-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(2-bromoindol-1-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(2-bromoindol-1-yl)ethyl]propanamide is CCC(=O)NCCn1c(Br)cc2ccccc21.
What is the InChIKey of N-[2-(2-bromoindol-1-yl)ethyl]propanamide?
The InChIKey is OQUBELQAULVUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-2-13(17)15-7-8-16-11-6-4-3-5-10(11)9-12(16)14/h3-6,9H,2,7-8H2,1H3,(H,15,17).
What are the key properties of N-[2-(2-bromoindol-1-yl)ethyl]propanamide?
N-[2-(2-bromoindol-1-yl)ethyl]propanamide has a molecular weight of 295.18 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoindol-1-yl)ethyl]propanamide is sourced from PubChem (CID 155546299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).