5-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide

C18H15BrFNO3 — CID 46437931

IUPAC5-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cc3cc(Br)ccc3o2)cc1F
InChIInChI=1S/C18H15BrFNO3/c1-21(10-11-3-5-16(23-2)14(20)7-11)18(22)17-9-12-8-13(19)4-6-15(12)24-17/h3-9H,10H2,1-2H3
InChIKeyVZISJYMYVOAZOU-UHFFFAOYSA-N
MW392.22 g/mol
LogP4.62
Rot. Bonds4

About 5-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide

5-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide (PubChem CID 46437931) has the molecular formula C18H15BrFNO3 and a molecular weight of 392.22 g/mol. Its IUPAC name is 5-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
PubChem CID46437931
Molecular FormulaC18H15BrFNO3
Molecular Weight392.22 g/mol
Exact Mass391.02
IUPAC Name5-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cc3cc(Br)ccc3o2)cc1F
InChIInChI=1S/C18H15BrFNO3/c1-21(10-11-3-5-16(23-2)14(20)7-11)18(22)17-9-12-8-13(19)4-6-15(12)24-17/h3-9H,10H2,1-2H3
InChIKeyVZISJYMYVOAZOU-UHFFFAOYSA-N
XLogP4.62
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.22
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 60652530
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 9462623
5-bromo-N-methyl-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide
CID 86980541
5-bromo-N-[(2-ethoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 55957273
5-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiophene-3-carboxamide
CID 60735669
4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 78797061
N-[(3-fluoro-4-methoxyphenyl)methyl]-3,5-dimethoxy-N-methylbenzamide
CID 18115808
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide
CID 39934885
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128248
(5-bromo-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone
CID 29076010
2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbutanamide
CID 54939409
methyl 4-[(3-fluoro-4-methoxyphenyl)methyl-methylcarbamoyl]benzoate
CID 31917214

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide (CID 46437931) is 5-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide is COc1ccc(CN(C)C(=O)c2cc3cc(Br)ccc3o2)cc1F.
What is the InChIKey of 5-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide?
The InChIKey is VZISJYMYVOAZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFNO3/c1-21(10-11-3-5-16(23-2)14(20)7-11)18(22)17-9-12-8-13(19)4-6-15(12)24-17/h3-9H,10H2,1-2H3.
What are the key properties of 5-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide?
5-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide has a molecular weight of 392.22 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 46437931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).