5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]furan-2-carboxamide

C15H13BrN2O3 — CID 2453360

IUPAC5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]furan-2-carboxamide
SMILESO=C(NCC(=O)N1CCc2ccccc21)c1ccc(Br)o1
InChIInChI=1S/C15H13BrN2O3/c16-13-6-5-12(21-13)15(20)17-9-14(19)18-8-7-10-3-1-2-4-11(10)18/h1-6H,7-9H2,(H,17,20)
InChIKeyWCFFLQSTFXBUQN-UHFFFAOYSA-N
MW349.18 g/mol
LogP2.36
Rot. Bonds3

About 5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]furan-2-carboxamide

5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]furan-2-carboxamide (PubChem CID 2453360) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is 5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]furan-2-carboxamide
PubChem CID2453360
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC Name5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]furan-2-carboxamide
SMILESO=C(NCC(=O)N1CCc2ccccc21)c1ccc(Br)o1
InChIInChI=1S/C15H13BrN2O3/c16-13-6-5-12(21-13)15(20)17-9-14(19)18-8-7-10-3-1-2-4-11(10)18/h1-6H,7-9H2,(H,17,20)
InChIKeyWCFFLQSTFXBUQN-UHFFFAOYSA-N
XLogP2.36
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 51218620
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]furan-2-carboxamide (CID 2453360) is 5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]furan-2-carboxamide is O=C(NCC(=O)N1CCc2ccccc21)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is WCFFLQSTFXBUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c16-13-6-5-12(21-13)15(20)17-9-14(19)18-8-7-10-3-1-2-4-11(10)18/h1-6H,7-9H2,(H,17,20).
What are the key properties of 5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 349.18 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 2453360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).