5-bromo-N-(oxolan-3-yl)-1H-indole-3-carboxamide

C13H13BrN2O2 — CID 172654541

IUPAC5-bromo-N-(oxolan-3-yl)-1H-indole-3-carboxamide
SMILESO=C(NC1CCOC1)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C13H13BrN2O2/c14-8-1-2-12-10(5-8)11(6-15-12)13(17)16-9-3-4-18-7-9/h1-2,5-6,9,15H,3-4,7H2,(H,16,17)
InChIKeyLLNOWUCYIRMZQD-UHFFFAOYSA-N
MW309.16 g/mol
LogP2.45
Rot. Bonds2

About 5-bromo-N-(oxolan-3-yl)-1H-indole-3-carboxamide

5-bromo-N-(oxolan-3-yl)-1H-indole-3-carboxamide (PubChem CID 172654541) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 5-bromo-N-(oxolan-3-yl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(oxolan-3-yl)-1H-indole-3-carboxamide
PubChem CID172654541
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name5-bromo-N-(oxolan-3-yl)-1H-indole-3-carboxamide
SMILESO=C(NC1CCOC1)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C13H13BrN2O2/c14-8-1-2-12-10(5-8)11(6-15-12)13(17)16-9-3-4-18-7-9/h1-2,5-6,9,15H,3-4,7H2,(H,16,17)
InChIKeyLLNOWUCYIRMZQD-UHFFFAOYSA-N
XLogP2.45
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-cyclopentyl-1H-indole-3-carboxamide
CID 172654540
(5-bromo-1H-indol-3-yl)-(oxolan-3-yl)methanone
CID 61272790
6-fluoro-N-[(3R)-oxolan-3-yl]-1H-indole-3-carboxamide
CID 99825619
6-amino-N-(oxolan-3-yl)-1H-indole-3-carboxamide
CID 80717046
4-bromo-2-fluoro-N-(oxolan-3-yl)benzamide
CID 80713377
1,2-bis(5-bromo-1H-indol-3-yl)ethane-1,2-dione
CID 69439956
5-bromo-N-[(1R,2R)-2-methylcyclohexyl]-1H-indole-3-carboxamide
CID 25362200
5-bromo-1H-indole-3-carbohydrazide
CID 156904296
5-bromo-N-methyl-1H-indole-3-carboxamide
CID 142746507
2,4-dibromo-N-(oxan-4-yl)benzamide
CID 103882568
(5-bromo-1H-indol-3-yl)-cyclopentylmethanone
CID 43162090
1-(5-bromo-1H-indol-3-yl)-2-cyclobutylethanone
CID 103162405

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(oxolan-3-yl)-1H-indole-3-carboxamide?
The IUPAC name of 5-bromo-N-(oxolan-3-yl)-1H-indole-3-carboxamide (CID 172654541) is 5-bromo-N-(oxolan-3-yl)-1H-indole-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(oxolan-3-yl)-1H-indole-3-carboxamide?
The canonical SMILES for 5-bromo-N-(oxolan-3-yl)-1H-indole-3-carboxamide is O=C(NC1CCOC1)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-N-(oxolan-3-yl)-1H-indole-3-carboxamide?
The InChIKey is LLNOWUCYIRMZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c14-8-1-2-12-10(5-8)11(6-15-12)13(17)16-9-3-4-18-7-9/h1-2,5-6,9,15H,3-4,7H2,(H,16,17).
What are the key properties of 5-bromo-N-(oxolan-3-yl)-1H-indole-3-carboxamide?
5-bromo-N-(oxolan-3-yl)-1H-indole-3-carboxamide has a molecular weight of 309.16 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(oxolan-3-yl)-1H-indole-3-carboxamide is sourced from PubChem (CID 172654541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).