N-(azetidin-3-yl)-7-bromo-N-ethyl-1-benzofuran-2-carboxamide

C14H15BrN2O2 — CID 66181896

IUPACN-(azetidin-3-yl)-7-bromo-N-ethyl-1-benzofuran-2-carboxamide
SMILESCCN(C(=O)c1cc2cccc(Br)c2o1)C1CNC1
InChIInChI=1S/C14H15BrN2O2/c1-2-17(10-7-16-8-10)14(18)12-6-9-4-3-5-11(15)13(9)19-12/h3-6,10,16H,2,7-8H2,1H3
InChIKeyNJQKPSFUIHBQBK-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.63
Rot. Bonds3

About N-(azetidin-3-yl)-7-bromo-N-ethyl-1-benzofuran-2-carboxamide

N-(azetidin-3-yl)-7-bromo-N-ethyl-1-benzofuran-2-carboxamide (PubChem CID 66181896) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is N-(azetidin-3-yl)-7-bromo-N-ethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-7-bromo-N-ethyl-1-benzofuran-2-carboxamide
PubChem CID66181896
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC NameN-(azetidin-3-yl)-7-bromo-N-ethyl-1-benzofuran-2-carboxamide
SMILESCCN(C(=O)c1cc2cccc(Br)c2o1)C1CNC1
InChIInChI=1S/C14H15BrN2O2/c1-2-17(10-7-16-8-10)14(18)12-6-9-4-3-5-11(15)13(9)19-12/h3-6,10,16H,2,7-8H2,1H3
InChIKeyNJQKPSFUIHBQBK-UHFFFAOYSA-N
XLogP2.63
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(azetidin-3-yl)-7-bromo-N-ethyl-1-benzofuran-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 N-(azetidin-3-yl)-7-bromo-N-ethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(azetidin-3-yl)-7-bromo-N-ethyl-1-benzofuran-2-carboxamide (CID 66181896) is N-(azetidin-3-yl)-7-bromo-N-ethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(azetidin-3-yl)-7-bromo-N-ethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(azetidin-3-yl)-7-bromo-N-ethyl-1-benzofuran-2-carboxamide is CCN(C(=O)c1cc2cccc(Br)c2o1)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-7-bromo-N-ethyl-1-benzofuran-2-carboxamide?
The InChIKey is NJQKPSFUIHBQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-2-17(10-7-16-8-10)14(18)12-6-9-4-3-5-11(15)13(9)19-12/h3-6,10,16H,2,7-8H2,1H3.
What are the key properties of N-(azetidin-3-yl)-7-bromo-N-ethyl-1-benzofuran-2-carboxamide?
N-(azetidin-3-yl)-7-bromo-N-ethyl-1-benzofuran-2-carboxamide has a molecular weight of 323.19 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-7-bromo-N-ethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 66181896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).