N-[1-(1-benzofuran-2-yl)ethyl]-5-bromo-N-methylfuran-2-carboxamide

C16H14BrNO3 — CID 46551193

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-5-bromo-N-methylfuran-2-carboxamide
SMILESCC(c1cc2ccccc2o1)N(C)C(=O)c1ccc(Br)o1
InChIInChI=1S/C16H14BrNO3/c1-10(14-9-11-5-3-4-6-12(11)20-14)18(2)16(19)13-7-8-15(17)21-13/h3-10H,1-2H3
InChIKeyGADSGYCDGFWXGC-UHFFFAOYSA-N
MW348.20 g/mol
LogP4.62
Rot. Bonds3

About N-[1-(1-benzofuran-2-yl)ethyl]-5-bromo-N-methylfuran-2-carboxamide

N-[1-(1-benzofuran-2-yl)ethyl]-5-bromo-N-methylfuran-2-carboxamide (PubChem CID 46551193) has the molecular formula C16H14BrNO3 and a molecular weight of 348.20 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-5-bromo-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-5-bromo-N-methylfuran-2-carboxamide
PubChem CID46551193
Molecular FormulaC16H14BrNO3
Molecular Weight348.20 g/mol
Exact Mass347.02
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-5-bromo-N-methylfuran-2-carboxamide
SMILESCC(c1cc2ccccc2o1)N(C)C(=O)c1ccc(Br)o1
InChIInChI=1S/C16H14BrNO3/c1-10(14-9-11-5-3-4-6-12(11)20-14)18(2)16(19)13-7-8-15(17)21-13/h3-10H,1-2H3
InChIKeyGADSGYCDGFWXGC-UHFFFAOYSA-N
XLogP4.62
TPSA46.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-N,5-dimethylfuran-2-carboxamide
CID 46551065
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-5-bromo-N-methylthiophene-2-carboxamide
CID 39976179
N-[1-(1-benzofuran-2-yl)ethyl]-N,4-dimethylbenzamide
CID 46551169
N-[1-(1-benzofuran-2-yl)ethyl]-N-methylpyridine-4-carboxamide
CID 46551068
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-1H-indole-2-carboxamide
CID 39976177
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-difluoro-N-methylbenzamide
CID 39976580
N-[1-(1-benzofuran-2-yl)ethyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 46551191
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-methylurea
CID 134040576
3-[1-(1-benzofuran-2-yl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049773
N-[1-(1-benzofuran-2-yl)ethyl]-2-methoxy-N-methylpropanamide
CID 115588204
(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethylbutanamide
CID 61164290
N-[1-(1-benzofuran-2-yl)ethyl]-N-methylpyrazine-2-carboxamide
CID 46550839

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-5-bromo-N-methylfuran-2-carboxamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-5-bromo-N-methylfuran-2-carboxamide (CID 46551193) is N-[1-(1-benzofuran-2-yl)ethyl]-5-bromo-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-5-bromo-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-5-bromo-N-methylfuran-2-carboxamide is CC(c1cc2ccccc2o1)N(C)C(=O)c1ccc(Br)o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-5-bromo-N-methylfuran-2-carboxamide?
The InChIKey is GADSGYCDGFWXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO3/c1-10(14-9-11-5-3-4-6-12(11)20-14)18(2)16(19)13-7-8-15(17)21-13/h3-10H,1-2H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-5-bromo-N-methylfuran-2-carboxamide?
N-[1-(1-benzofuran-2-yl)ethyl]-5-bromo-N-methylfuran-2-carboxamide has a molecular weight of 348.20 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-5-bromo-N-methylfuran-2-carboxamide is sourced from PubChem (CID 46551193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).