5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-indole-2-carboxamide

C15H19BrN2O2 — CID 111596618

IUPAC5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-indole-2-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1cc2cc(Br)ccc2[nH]1
InChIInChI=1S/C15H19BrN2O2/c1-4-18(9-15(2,3)20)14(19)13-8-10-7-11(16)5-6-12(10)17-13/h5-8,17,20H,4,9H2,1-3H3
InChIKeyUOYYABJQKCRUGB-UHFFFAOYSA-N
MW339.23 g/mol
LogP3.16
Rot. Bonds4

About 5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-indole-2-carboxamide

5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-indole-2-carboxamide (PubChem CID 111596618) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-indole-2-carboxamide
PubChem CID111596618
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-indole-2-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1cc2cc(Br)ccc2[nH]1
InChIInChI=1S/C15H19BrN2O2/c1-4-18(9-15(2,3)20)14(19)13-8-10-7-11(16)5-6-12(10)17-13/h5-8,17,20H,4,9H2,1-3H3
InChIKeyUOYYABJQKCRUGB-UHFFFAOYSA-N
XLogP3.16
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-indole-2-carboxamide (CID 111596618) is 5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-indole-2-carboxamide is CCN(CC(C)(C)O)C(=O)c1cc2cc(Br)ccc2[nH]1.
What is the InChIKey of 5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-indole-2-carboxamide?
The InChIKey is UOYYABJQKCRUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-4-18(9-15(2,3)20)14(19)13-8-10-7-11(16)5-6-12(10)17-13/h5-8,17,20H,4,9H2,1-3H3.
What are the key properties of 5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-indole-2-carboxamide?
5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-indole-2-carboxamide has a molecular weight of 339.23 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 111596618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).