7-bromo-N-(2-hydroxyethyl)-N-methyl-1-benzofuran-2-carboxamide

C12H12BrNO3 — CID 110890190

IUPAC7-bromo-N-(2-hydroxyethyl)-N-methyl-1-benzofuran-2-carboxamide
SMILESCN(CCO)C(=O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C12H12BrNO3/c1-14(5-6-15)12(16)10-7-8-3-2-4-9(13)11(8)17-10/h2-4,7,15H,5-6H2,1H3
InChIKeyZDWNWOXKBILXMQ-UHFFFAOYSA-N
MW298.14 g/mol
LogP2.26
Rot. Bonds3

About 7-bromo-N-(2-hydroxyethyl)-N-methyl-1-benzofuran-2-carboxamide

7-bromo-N-(2-hydroxyethyl)-N-methyl-1-benzofuran-2-carboxamide (PubChem CID 110890190) has the molecular formula C12H12BrNO3 and a molecular weight of 298.14 g/mol. Its IUPAC name is 7-bromo-N-(2-hydroxyethyl)-N-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-(2-hydroxyethyl)-N-methyl-1-benzofuran-2-carboxamide
PubChem CID110890190
Molecular FormulaC12H12BrNO3
Molecular Weight298.14 g/mol
Exact Mass297.00
IUPAC Name7-bromo-N-(2-hydroxyethyl)-N-methyl-1-benzofuran-2-carboxamide
SMILESCN(CCO)C(=O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C12H12BrNO3/c1-14(5-6-15)12(16)10-7-8-3-2-4-9(13)11(8)17-10/h2-4,7,15H,5-6H2,1H3
InChIKeyZDWNWOXKBILXMQ-UHFFFAOYSA-N
XLogP2.26
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-bromo-N-(2-hydroxyethyl)-N-methyl-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

Related Compounds

7-bromo-N-[(4-chlorophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 55684638
N-(3-amino-2,2-dimethylpropyl)-7-bromo-N-methyl-1-benzofuran-2-carboxamide
CID 79652409
7-bromo-N-methyl-N-[(2-methylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 39717319
N-(2-anilino-2-oxoethyl)-7-bromo-N-methyl-1-benzofuran-2-carboxamide
CID 46460862
7-bromo-N-ethyl-N-phenyl-1-benzofuran-2-carboxamide
CID 38925942
N-(azetidin-3-yl)-7-bromo-N-propyl-1-benzofuran-2-carboxamide
CID 66213648
7-bromo-1-benzofuran-2-carboxamide
CID 47331810
N-(azetidin-3-yl)-7-bromo-N-ethyl-1-benzofuran-2-carboxamide
CID 66181896
7-bromo-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-1-benzofuran-2-carboxamide
CID 39712377
1-(7-bromo-1-benzofuran-2-yl)-4,4-dimethylpentan-1-one
CID 105093405
N-benzyl-7-bromo-1-benzofuran-2-carboxamide
CID 38885383
7-bromo-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102914484

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(2-hydroxyethyl)-N-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 7-bromo-N-(2-hydroxyethyl)-N-methyl-1-benzofuran-2-carboxamide (CID 110890190) is 7-bromo-N-(2-hydroxyethyl)-N-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-bromo-N-(2-hydroxyethyl)-N-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-bromo-N-(2-hydroxyethyl)-N-methyl-1-benzofuran-2-carboxamide is CN(CCO)C(=O)c1cc2cccc(Br)c2o1.
What is the InChIKey of 7-bromo-N-(2-hydroxyethyl)-N-methyl-1-benzofuran-2-carboxamide?
The InChIKey is ZDWNWOXKBILXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO3/c1-14(5-6-15)12(16)10-7-8-3-2-4-9(13)11(8)17-10/h2-4,7,15H,5-6H2,1H3.
What are the key properties of 7-bromo-N-(2-hydroxyethyl)-N-methyl-1-benzofuran-2-carboxamide?
7-bromo-N-(2-hydroxyethyl)-N-methyl-1-benzofuran-2-carboxamide has a molecular weight of 298.14 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(2-hydroxyethyl)-N-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 110890190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).