5-bromo-N-[2-(1H-indol-3-yl)ethyl]furan-2-carboxamide

C15H13BrN2O2 — CID 4792773

IUPAC5-bromo-N-[2-(1H-indol-3-yl)ethyl]furan-2-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc(Br)o1
InChIInChI=1S/C15H13BrN2O2/c16-14-6-5-13(20-14)15(19)17-8-7-10-9-18-12-4-2-1-3-11(10)12/h1-6,9,18H,7-8H2,(H,17,19)
InChIKeyNRGKOUPUWPVWKJ-UHFFFAOYSA-N
MW333.19 g/mol
LogP3.50
Rot. Bonds4

About 5-bromo-N-[2-(1H-indol-3-yl)ethyl]furan-2-carboxamide

5-bromo-N-[2-(1H-indol-3-yl)ethyl]furan-2-carboxamide (PubChem CID 4792773) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is 5-bromo-N-[2-(1H-indol-3-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(1H-indol-3-yl)ethyl]furan-2-carboxamide
PubChem CID4792773
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC Name5-bromo-N-[2-(1H-indol-3-yl)ethyl]furan-2-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc(Br)o1
InChIInChI=1S/C15H13BrN2O2/c16-14-6-5-13(20-14)15(19)17-8-7-10-9-18-12-4-2-1-3-11(10)12/h1-6,9,18H,7-8H2,(H,17,19)
InChIKeyNRGKOUPUWPVWKJ-UHFFFAOYSA-N
XLogP3.50
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
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CID 51210971
3-bromo-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 107518048
3-bromo-2-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
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CID 53270372
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
2-bromo-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 26245347
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130
N-[2-(1H-indol-3-yl)ethyl]-2-naphthalen-1-ylacetamide
CID 20969018
N-[2-(1H-indol-3-yl)ethyl]-2-(2H-tetrazol-5-yl)acetamide
CID 110499402
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 110695717
N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-thiazole-3-carboxamide
CID 84576677

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(1H-indol-3-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(1H-indol-3-yl)ethyl]furan-2-carboxamide (CID 4792773) is 5-bromo-N-[2-(1H-indol-3-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(1H-indol-3-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(1H-indol-3-yl)ethyl]furan-2-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-(1H-indol-3-yl)ethyl]furan-2-carboxamide?
The InChIKey is NRGKOUPUWPVWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c16-14-6-5-13(20-14)15(19)17-8-7-10-9-18-12-4-2-1-3-11(10)12/h1-6,9,18H,7-8H2,(H,17,19).
What are the key properties of 5-bromo-N-[2-(1H-indol-3-yl)ethyl]furan-2-carboxamide?
5-bromo-N-[2-(1H-indol-3-yl)ethyl]furan-2-carboxamide has a molecular weight of 333.19 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(1H-indol-3-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 4792773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).