2-(6-bromoindol-1-yl)-N-[2-(furan-2-yl)ethyl]acetamide

C16H15BrN2O2 — CID 29131821

IUPAC2-(6-bromoindol-1-yl)-N-[2-(furan-2-yl)ethyl]acetamide
SMILESO=C(Cn1ccc2ccc(Br)cc21)NCCc1ccco1
InChIInChI=1S/C16H15BrN2O2/c17-13-4-3-12-6-8-19(15(12)10-13)11-16(20)18-7-5-14-2-1-9-21-14/h1-4,6,8-10H,5,7,11H2,(H,18,20)
InChIKeyLHEDGQQWFLFRMS-UHFFFAOYSA-N
MW347.21 g/mol
LogP3.36
Rot. Bonds5

About 2-(6-bromoindol-1-yl)-N-[2-(furan-2-yl)ethyl]acetamide

2-(6-bromoindol-1-yl)-N-[2-(furan-2-yl)ethyl]acetamide (PubChem CID 29131821) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is 2-(6-bromoindol-1-yl)-N-[2-(furan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(6-bromoindol-1-yl)-N-[2-(furan-2-yl)ethyl]acetamide
PubChem CID29131821
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name2-(6-bromoindol-1-yl)-N-[2-(furan-2-yl)ethyl]acetamide
SMILESO=C(Cn1ccc2ccc(Br)cc21)NCCc1ccco1
InChIInChI=1S/C16H15BrN2O2/c17-13-4-3-12-6-8-19(15(12)10-13)11-16(20)18-7-5-14-2-1-9-21-14/h1-4,6,8-10H,5,7,11H2,(H,18,20)
InChIKeyLHEDGQQWFLFRMS-UHFFFAOYSA-N
XLogP3.36
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromoindol-1-yl)-N-[2-(furan-2-yl)ethyl]acetamide?
The IUPAC name of 2-(6-bromoindol-1-yl)-N-[2-(furan-2-yl)ethyl]acetamide (CID 29131821) is 2-(6-bromoindol-1-yl)-N-[2-(furan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(6-bromoindol-1-yl)-N-[2-(furan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(6-bromoindol-1-yl)-N-[2-(furan-2-yl)ethyl]acetamide is O=C(Cn1ccc2ccc(Br)cc21)NCCc1ccco1.
What is the InChIKey of 2-(6-bromoindol-1-yl)-N-[2-(furan-2-yl)ethyl]acetamide?
The InChIKey is LHEDGQQWFLFRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c17-13-4-3-12-6-8-19(15(12)10-13)11-16(20)18-7-5-14-2-1-9-21-14/h1-4,6,8-10H,5,7,11H2,(H,18,20).
What are the key properties of 2-(6-bromoindol-1-yl)-N-[2-(furan-2-yl)ethyl]acetamide?
2-(6-bromoindol-1-yl)-N-[2-(furan-2-yl)ethyl]acetamide has a molecular weight of 347.21 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromoindol-1-yl)-N-[2-(furan-2-yl)ethyl]acetamide is sourced from PubChem (CID 29131821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).