3-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanamide

C11H12FNO2 — CID 19611644

IUPAC3-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanamide
SMILESNC(=O)CCc1c(F)ccc2c1CCO2
InChIInChI=1S/C11H12FNO2/c12-9-2-3-10-8(5-6-15-10)7(9)1-4-11(13)14/h2-3H,1,4-6H2,(H2,13,14)
InChIKeyIKXZWINDYRGJRR-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.18
Rot. Bonds3

About 3-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanamide

3-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanamide (PubChem CID 19611644) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 3-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanamide.

Molecular Properties

Compound Name3-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanamide
PubChem CID19611644
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name3-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanamide
SMILESNC(=O)CCc1c(F)ccc2c1CCO2
InChIInChI=1S/C11H12FNO2/c12-9-2-3-10-8(5-6-15-10)7(9)1-4-11(13)14/h2-3H,1,4-6H2,(H2,13,14)
InChIKeyIKXZWINDYRGJRR-UHFFFAOYSA-N
XLogP1.18
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanamide?
The IUPAC name of 3-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanamide (CID 19611644) is 3-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanamide.
What is the SMILES notation for 3-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanamide?
The canonical SMILES for 3-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanamide is NC(=O)CCc1c(F)ccc2c1CCO2.
What is the InChIKey of 3-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanamide?
The InChIKey is IKXZWINDYRGJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c12-9-2-3-10-8(5-6-15-10)7(9)1-4-11(13)14/h2-3H,1,4-6H2,(H2,13,14).
What are the key properties of 3-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanamide?
3-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanamide has a molecular weight of 209.22 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanamide is sourced from PubChem (CID 19611644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).