5-bromo-N-[(2-ethoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide

C19H18BrNO3 — CID 55957273

IUPAC5-bromo-N-[(2-ethoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
SMILESCCOc1ccccc1CN(C)C(=O)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C19H18BrNO3/c1-3-23-16-7-5-4-6-13(16)12-21(2)19(22)18-11-14-10-15(20)8-9-17(14)24-18/h4-11H,3,12H2,1-2H3
InChIKeyQHQQDUYDMKNQAC-UHFFFAOYSA-N
MW388.26 g/mol
LogP4.87
Rot. Bonds5

About 5-bromo-N-[(2-ethoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide

5-bromo-N-[(2-ethoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide (PubChem CID 55957273) has the molecular formula C19H18BrNO3 and a molecular weight of 388.26 g/mol. Its IUPAC name is 5-bromo-N-[(2-ethoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2-ethoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
PubChem CID55957273
Molecular FormulaC19H18BrNO3
Molecular Weight388.26 g/mol
Exact Mass387.05
IUPAC Name5-bromo-N-[(2-ethoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
SMILESCCOc1ccccc1CN(C)C(=O)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C19H18BrNO3/c1-3-23-16-7-5-4-6-13(16)12-21(2)19(22)18-11-14-10-15(20)8-9-17(14)24-18/h4-11H,3,12H2,1-2H3
InChIKeyQHQQDUYDMKNQAC-UHFFFAOYSA-N
XLogP4.87
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.26
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-methyl-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide
CID 86980541
5-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 46437931
3-bromo-N-[(2-ethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide
CID 55861656
2-(4-bromophenoxy)-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 55861535
2-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 63678589
N-[(2-ethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 53285925
2-amino-N-[(2-ethoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 54873662
N-[(2-ethoxyphenyl)methyl]-3-iodo-N-methylbenzamide
CID 61026834
5-bromo-N-(2,6-diethylphenyl)-1-benzofuran-2-carboxamide
CID 19225293
2-amino-N-[(2-ethoxyphenyl)methyl]-N-methylbutanediamide
CID 60962465
5-bromo-2-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103600356
1-(3-bromophenyl)-N-[(2-ethoxyphenyl)methyl]-N,5-dimethyltriazole-4-carboxamide
CID 55957403

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-ethoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2-ethoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide (CID 55957273) is 5-bromo-N-[(2-ethoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2-ethoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2-ethoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide is CCOc1ccccc1CN(C)C(=O)c1cc2cc(Br)ccc2o1.
What is the InChIKey of 5-bromo-N-[(2-ethoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide?
The InChIKey is QHQQDUYDMKNQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO3/c1-3-23-16-7-5-4-6-13(16)12-21(2)19(22)18-11-14-10-15(20)8-9-17(14)24-18/h4-11H,3,12H2,1-2H3.
What are the key properties of 5-bromo-N-[(2-ethoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide?
5-bromo-N-[(2-ethoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide has a molecular weight of 388.26 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-ethoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55957273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).