N-(2-bromoethyl)-N-ethyl-1-benzofuran-2-carboxamide

C13H14BrNO2 — CID 80660638

IUPACN-(2-bromoethyl)-N-ethyl-1-benzofuran-2-carboxamide
SMILESCCN(CCBr)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C13H14BrNO2/c1-2-15(8-7-14)13(16)12-9-10-5-3-4-6-11(10)17-12/h3-6,9H,2,7-8H2,1H3
InChIKeyKUSKCTAEXBWTAB-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.29
Rot. Bonds4

About N-(2-bromoethyl)-N-ethyl-1-benzofuran-2-carboxamide

N-(2-bromoethyl)-N-ethyl-1-benzofuran-2-carboxamide (PubChem CID 80660638) has the molecular formula C13H14BrNO2 and a molecular weight of 296.16 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-ethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-ethyl-1-benzofuran-2-carboxamide
PubChem CID80660638
Molecular FormulaC13H14BrNO2
Molecular Weight296.16 g/mol
Exact Mass295.02
IUPAC NameN-(2-bromoethyl)-N-ethyl-1-benzofuran-2-carboxamide
SMILESCCN(CCBr)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C13H14BrNO2/c1-2-15(8-7-14)13(16)12-9-10-5-3-4-6-11(10)17-12/h3-6,9H,2,7-8H2,1H3
InChIKeyKUSKCTAEXBWTAB-UHFFFAOYSA-N
XLogP3.29
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-ethyl-1-benzofuran-2-carboxamide
CID 110698803
N-(2-bromoethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 80666605
5-amino-N-ethyl-N-propyl-1-benzofuran-2-carboxamide
CID 61094776
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 2552428
5-amino-N-butyl-N-ethyl-1-benzofuran-2-carboxamide
CID 61089879
5-bromo-N-(2-bromoethyl)-N-ethylfuran-2-carboxamide
CID 80660635
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 9462623
N-cyclohexyl-N-ethyl-1-benzofuran-2-carboxamide
CID 60592186
N-(3-aminopropyl)-N-(2-methoxyethyl)-1-benzofuran-2-carboxamide
CID 63287232
4-[1-benzofuran-2-yl(piperidin-4-ylidene)methyl]-N,N-diethylbenzamide
CID 23435896
N-(2-chloroethyl)-N-pentan-3-yl-1-benzofuran-2-carboxamide
CID 63396036
1-(1-benzofuran-2-yl)-2-(methylamino)ethanone;ethane
CID 171632781

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-ethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-bromoethyl)-N-ethyl-1-benzofuran-2-carboxamide (CID 80660638) is N-(2-bromoethyl)-N-ethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-N-ethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-N-ethyl-1-benzofuran-2-carboxamide is CCN(CCBr)C(=O)c1cc2ccccc2o1.
What is the InChIKey of N-(2-bromoethyl)-N-ethyl-1-benzofuran-2-carboxamide?
The InChIKey is KUSKCTAEXBWTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO2/c1-2-15(8-7-14)13(16)12-9-10-5-3-4-6-11(10)17-12/h3-6,9H,2,7-8H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-ethyl-1-benzofuran-2-carboxamide?
N-(2-bromoethyl)-N-ethyl-1-benzofuran-2-carboxamide has a molecular weight of 296.16 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-ethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 80660638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).