5-bromo-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-fluorobenzamide

C18H17BrFNO3 — CID 43034709

IUPAC5-bromo-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-fluorobenzamide
SMILESCCOc1cc2c(cc1NC(=O)c1cc(Br)ccc1F)OC(C)C2
InChIInChI=1S/C18H17BrFNO3/c1-3-23-17-7-11-6-10(2)24-16(11)9-15(17)21-18(22)13-8-12(19)4-5-14(13)20/h4-5,7-10H,3,6H2,1-2H3,(H,21,22)
InChIKeyVIBCEXDSHYGDEQ-UHFFFAOYSA-N
MW394.24 g/mol
LogP4.56
Rot. Bonds4

About 5-bromo-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-fluorobenzamide

5-bromo-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-fluorobenzamide (PubChem CID 43034709) has the molecular formula C18H17BrFNO3 and a molecular weight of 394.24 g/mol. Its IUPAC name is 5-bromo-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-bromo-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-fluorobenzamide
PubChem CID43034709
Molecular FormulaC18H17BrFNO3
Molecular Weight394.24 g/mol
Exact Mass393.04
IUPAC Name5-bromo-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-fluorobenzamide
SMILESCCOc1cc2c(cc1NC(=O)c1cc(Br)ccc1F)OC(C)C2
InChIInChI=1S/C18H17BrFNO3/c1-3-23-17-7-11-6-10(2)24-16(11)9-15(17)21-18(22)13-8-12(19)4-5-14(13)20/h4-5,7-10H,3,6H2,1-2H3,(H,21,22)
InChIKeyVIBCEXDSHYGDEQ-UHFFFAOYSA-N
XLogP4.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.24
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-fluorobenzamide
CID 9400290
2,4-dichloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-fluorobenzamide
CID 24529754
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2,4-dimethylbenzamide
CID 43034703
4-amino-2-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide
CID 119697401
4-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide
CID 119697390
N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]pyridine-2-carboxamide
CID 40855512
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-propylbenzamide
CID 60584787
N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2,5-difluorobenzamide
CID 25478847
N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-5-methylpyrazine-2-carboxamide
CID 27901219
N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-nitrobenzamide
CID 9451778
3-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide;hydrochloride
CID 119697413
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methoxybenzamide
CID 17417438

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-fluorobenzamide?
The IUPAC name of 5-bromo-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-fluorobenzamide (CID 43034709) is 5-bromo-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-fluorobenzamide.
What is the SMILES notation for 5-bromo-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-fluorobenzamide?
The canonical SMILES for 5-bromo-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-fluorobenzamide is CCOc1cc2c(cc1NC(=O)c1cc(Br)ccc1F)OC(C)C2.
What is the InChIKey of 5-bromo-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-fluorobenzamide?
The InChIKey is VIBCEXDSHYGDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrFNO3/c1-3-23-17-7-11-6-10(2)24-16(11)9-15(17)21-18(22)13-8-12(19)4-5-14(13)20/h4-5,7-10H,3,6H2,1-2H3,(H,21,22).
What are the key properties of 5-bromo-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-fluorobenzamide?
5-bromo-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-fluorobenzamide has a molecular weight of 394.24 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-fluorobenzamide is sourced from PubChem (CID 43034709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).