N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-methoxyacetamide

C11H12FNO3 — CID 110475783

IUPACN-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-methoxyacetamide
SMILESCOCC(=O)NC1COc2ccc(F)cc21
InChIInChI=1S/C11H12FNO3/c1-15-6-11(14)13-9-5-16-10-3-2-7(12)4-8(9)10/h2-4,9H,5-6H2,1H3,(H,13,14)
InChIKeyCVRPHXKAZYPGBH-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.02
Rot. Bonds3

About N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-methoxyacetamide

N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-methoxyacetamide (PubChem CID 110475783) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-methoxyacetamide
PubChem CID110475783
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC NameN-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-methoxyacetamide
SMILESCOCC(=O)NC1COc2ccc(F)cc21
InChIInChI=1S/C11H12FNO3/c1-15-6-11(14)13-9-5-16-10-3-2-7(12)4-8(9)10/h2-4,9H,5-6H2,1H3,(H,13,14)
InChIKeyCVRPHXKAZYPGBH-UHFFFAOYSA-N
XLogP1.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)cyclopentanecarboxamide
CID 110475821
methyl 2-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)acetate
CID 137332483
N-(2,3-dihydro-1-benzofuran-3-yl)-2-(2-fluorophenoxy)acetamide
CID 110751651
2-methoxy-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide
CID 110479192
1-ethyl-N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)pyrazole-3-carboxamide
CID 138002257
(3S)-5-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran
CID 58740911
N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
CID 95618463
N-[6-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
CID 82174698
N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 167986981
N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(4-fluorophenyl)-5-oxopentanamide
CID 97016841
N-[6-(1-amino-2-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
CID 82174691
N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
CID 70687594

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-methoxyacetamide?
The IUPAC name of N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-methoxyacetamide (CID 110475783) is N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-methoxyacetamide.
What is the SMILES notation for N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-methoxyacetamide?
The canonical SMILES for N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-methoxyacetamide is COCC(=O)NC1COc2ccc(F)cc21.
What is the InChIKey of N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-methoxyacetamide?
The InChIKey is CVRPHXKAZYPGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c1-15-6-11(14)13-9-5-16-10-3-2-7(12)4-8(9)10/h2-4,9H,5-6H2,1H3,(H,13,14).
What are the key properties of N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-methoxyacetamide?
N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-methoxyacetamide has a molecular weight of 225.22 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-methoxyacetamide is sourced from PubChem (CID 110475783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).