7-bromo-N-[2-(2-methoxyethylamino)ethyl]-1-benzofuran-2-carboxamide

C14H17BrN2O3 — CID 82993657

IUPAC7-bromo-N-[2-(2-methoxyethylamino)ethyl]-1-benzofuran-2-carboxamide
SMILESCOCCNCCNC(=O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C14H17BrN2O3/c1-19-8-7-16-5-6-17-14(18)12-9-10-3-2-4-11(15)13(10)20-12/h2-4,9,16H,5-8H2,1H3,(H,17,18)
InChIKeyOPGBEYQWMJFTEA-UHFFFAOYSA-N
MW341.21 g/mol
LogP2.16
Rot. Bonds7

About 7-bromo-N-[2-(2-methoxyethylamino)ethyl]-1-benzofuran-2-carboxamide

7-bromo-N-[2-(2-methoxyethylamino)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 82993657) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is 7-bromo-N-[2-(2-methoxyethylamino)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-[2-(2-methoxyethylamino)ethyl]-1-benzofuran-2-carboxamide
PubChem CID82993657
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name7-bromo-N-[2-(2-methoxyethylamino)ethyl]-1-benzofuran-2-carboxamide
SMILESCOCCNCCNC(=O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C14H17BrN2O3/c1-19-8-7-16-5-6-17-14(18)12-9-10-3-2-4-11(15)13(10)20-12/h2-4,9,16H,5-8H2,1H3,(H,17,18)
InChIKeyOPGBEYQWMJFTEA-UHFFFAOYSA-N
XLogP2.16
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-bromo-N-[2-(propylamino)ethyl]-1-benzofuran-2-carboxamide
CID 55100770
2-[2-[(7-bromo-1-benzofuran-2-carbonyl)amino]ethoxy]acetic acid
CID 79457540
7-bromo-N-[2-(cyclopropylamino)ethyl]-1-benzofuran-2-carboxamide
CID 62663828
4-[(7-bromo-1-benzofuran-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 107832339
N-benzyl-7-bromo-1-benzofuran-2-carboxamide
CID 38885383
7-bromo-N-[(2-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 39709859
7-bromo-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102914484
7-bromo-N-[2-(3-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 38930964
7-bromo-N-[3-(furan-2-ylmethoxy)propyl]-1-benzofuran-2-carboxamide
CID 86989821
7-bromo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-benzofuran-2-carboxamide
CID 47031357
N-[(4-aminophenyl)methyl]-7-bromo-1-benzofuran-2-carboxamide
CID 116650020
7-bromo-N-[3-(propylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 46465492

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[2-(2-methoxyethylamino)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-bromo-N-[2-(2-methoxyethylamino)ethyl]-1-benzofuran-2-carboxamide (CID 82993657) is 7-bromo-N-[2-(2-methoxyethylamino)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-bromo-N-[2-(2-methoxyethylamino)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-bromo-N-[2-(2-methoxyethylamino)ethyl]-1-benzofuran-2-carboxamide is COCCNCCNC(=O)c1cc2cccc(Br)c2o1.
What is the InChIKey of 7-bromo-N-[2-(2-methoxyethylamino)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is OPGBEYQWMJFTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c1-19-8-7-16-5-6-17-14(18)12-9-10-3-2-4-11(15)13(10)20-12/h2-4,9,16H,5-8H2,1H3,(H,17,18).
What are the key properties of 7-bromo-N-[2-(2-methoxyethylamino)ethyl]-1-benzofuran-2-carboxamide?
7-bromo-N-[2-(2-methoxyethylamino)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 341.21 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[2-(2-methoxyethylamino)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 82993657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).