3-(6-bromoindol-1-yl)-N-ethylpropanamide

C13H15BrN2O — CID 116621862

IUPAC3-(6-bromoindol-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCn1ccc2ccc(Br)cc21
InChIInChI=1S/C13H15BrN2O/c1-2-15-13(17)6-8-16-7-5-10-3-4-11(14)9-12(10)16/h3-5,7,9H,2,6,8H2,1H3,(H,15,17)
InChIKeyCPHRRFHTDJNMHR-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.93
Rot. Bonds4

About 3-(6-bromoindol-1-yl)-N-ethylpropanamide

3-(6-bromoindol-1-yl)-N-ethylpropanamide (PubChem CID 116621862) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 3-(6-bromoindol-1-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(6-bromoindol-1-yl)-N-ethylpropanamide
PubChem CID116621862
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name3-(6-bromoindol-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCn1ccc2ccc(Br)cc21
InChIInChI=1S/C13H15BrN2O/c1-2-15-13(17)6-8-16-7-5-10-3-4-11(14)9-12(10)16/h3-5,7,9H,2,6,8H2,1H3,(H,15,17)
InChIKeyCPHRRFHTDJNMHR-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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Related Compounds

4-[[3-(6-bromoindol-1-yl)propanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 42537037
3-(6-bromoindol-1-yl)-1-phenylpropan-1-one
CID 116691910
1-(6-bromoindol-1-yl)butan-2-one
CID 62039344
4-(6-bromoindol-1-yl)butan-1-ol
CID 116621821
6-bromo-1-(2-methylsulfonylethyl)indole
CID 116621937
6-bromo-1-(2-fluoroethyl)indole
CID 116622037
2-(6-bromoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 116621827
4-(6-bromoindol-1-yl)butan-1-amine
CID 62566051
6-bromo-1-(3-methylbutyl)indole
CID 116621828
6-bromo-1-(3-methylsulfonylpropyl)indole
CID 116621947
3-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-ethylpropanamide
CID 102916239
(2S,3R)-2-[3-(5-bromoindol-1-yl)propanoylamino]-3-methylpentanoic acid
CID 45490726

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromoindol-1-yl)-N-ethylpropanamide?
The IUPAC name of 3-(6-bromoindol-1-yl)-N-ethylpropanamide (CID 116621862) is 3-(6-bromoindol-1-yl)-N-ethylpropanamide.
What is the SMILES notation for 3-(6-bromoindol-1-yl)-N-ethylpropanamide?
The canonical SMILES for 3-(6-bromoindol-1-yl)-N-ethylpropanamide is CCNC(=O)CCn1ccc2ccc(Br)cc21.
What is the InChIKey of 3-(6-bromoindol-1-yl)-N-ethylpropanamide?
The InChIKey is CPHRRFHTDJNMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-2-15-13(17)6-8-16-7-5-10-3-4-11(14)9-12(10)16/h3-5,7,9H,2,6,8H2,1H3,(H,15,17).
What are the key properties of 3-(6-bromoindol-1-yl)-N-ethylpropanamide?
3-(6-bromoindol-1-yl)-N-ethylpropanamide 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 3-(6-bromoindol-1-yl)-N-ethylpropanamide is sourced from PubChem (CID 116621862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).