2-(4-bromoindol-1-yl)-N-propan-2-ylacetamide

C13H15BrN2O — CID 116626047

IUPAC2-(4-bromoindol-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1ccc2c(Br)cccc21
InChIInChI=1S/C13H15BrN2O/c1-9(2)15-13(17)8-16-7-6-10-11(14)4-3-5-12(10)16/h3-7,9H,8H2,1-2H3,(H,15,17)
InChIKeyZGPKHKJDMCJLFU-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.93
Rot. Bonds3

About 2-(4-bromoindol-1-yl)-N-propan-2-ylacetamide

2-(4-bromoindol-1-yl)-N-propan-2-ylacetamide (PubChem CID 116626047) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 2-(4-bromoindol-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-bromoindol-1-yl)-N-propan-2-ylacetamide
PubChem CID116626047
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name2-(4-bromoindol-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1ccc2c(Br)cccc21
InChIInChI=1S/C13H15BrN2O/c1-9(2)15-13(17)8-16-7-6-10-11(14)4-3-5-12(10)16/h3-7,9H,8H2,1-2H3,(H,15,17)
InChIKeyZGPKHKJDMCJLFU-UHFFFAOYSA-N
XLogP2.93
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

2-(4-bromoindol-1-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide
CID 56763638
2-(7-bromo-4-oxoquinolin-1-yl)-N-propan-2-ylacetamide
CID 100739512
2-(4-bromoindol-1-yl)-1-(1-methylpyrrol-2-yl)ethanone
CID 113292195
2-(4-bromoindol-1-yl)-N-(1H-indol-4-yl)acetamide
CID 56763620
2-(6-methyl-4-oxoquinolin-1-yl)-N-propan-2-ylacetamide
CID 100741082
2-(4-methylindol-1-yl)-N-pentan-3-ylacetamide
CID 116620187
methyl 4-(4-bromoindol-1-yl)butanoate
CID 115351462
2-(4-methoxyindol-1-yl)-N-pentan-2-ylacetamide
CID 83174347
N-propan-2-yl-2-[6-[(propan-2-ylamino)methyl]indol-1-yl]acetamide
CID 102916880
N-(3-methylbutyl)-2-(4-methylindol-1-yl)acetamide
CID 116620292
2-(4-bromoindol-1-yl)ethanol
CID 66827454
2-[2-(hydroxymethyl)pyrrol-1-yl]-N-propan-2-ylacetamide
CID 66399323

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoindol-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-bromoindol-1-yl)-N-propan-2-ylacetamide (CID 116626047) is 2-(4-bromoindol-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-bromoindol-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-bromoindol-1-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1ccc2c(Br)cccc21.
What is the InChIKey of 2-(4-bromoindol-1-yl)-N-propan-2-ylacetamide?
The InChIKey is ZGPKHKJDMCJLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-9(2)15-13(17)8-16-7-6-10-11(14)4-3-5-12(10)16/h3-7,9H,8H2,1-2H3,(H,15,17).
What are the key properties of 2-(4-bromoindol-1-yl)-N-propan-2-ylacetamide?
2-(4-bromoindol-1-yl)-N-propan-2-ylacetamide has a molecular weight of 295.18 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoindol-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 116626047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).