3-(5-chloro-7-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanamide

C11H11ClFNO2 — CID 19611694

IUPAC3-(5-chloro-7-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanamide
SMILESNC(=O)CCc1c(Cl)cc(F)c2c1CCO2
InChIInChI=1S/C11H11ClFNO2/c12-8-5-9(13)11-7(3-4-16-11)6(8)1-2-10(14)15/h5H,1-4H2,(H2,14,15)
InChIKeyVYADOMNNKOGLJB-UHFFFAOYSA-N
MW243.66 g/mol
LogP1.83
Rot. Bonds3

About 3-(5-chloro-7-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanamide

3-(5-chloro-7-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanamide (PubChem CID 19611694) has the molecular formula C11H11ClFNO2 and a molecular weight of 243.66 g/mol. Its IUPAC name is 3-(5-chloro-7-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanamide.

Molecular Properties

Compound Name3-(5-chloro-7-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanamide
PubChem CID19611694
Molecular FormulaC11H11ClFNO2
Molecular Weight243.66 g/mol
Exact Mass243.05
IUPAC Name3-(5-chloro-7-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanamide
SMILESNC(=O)CCc1c(Cl)cc(F)c2c1CCO2
InChIInChI=1S/C11H11ClFNO2/c12-8-5-9(13)11-7(3-4-16-11)6(8)1-2-10(14)15/h5H,1-4H2,(H2,14,15)
InChIKeyVYADOMNNKOGLJB-UHFFFAOYSA-N
XLogP1.83
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.66
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-7-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanamide?
The IUPAC name of 3-(5-chloro-7-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanamide (CID 19611694) is 3-(5-chloro-7-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanamide.
What is the SMILES notation for 3-(5-chloro-7-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanamide?
The canonical SMILES for 3-(5-chloro-7-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanamide is NC(=O)CCc1c(Cl)cc(F)c2c1CCO2.
What is the InChIKey of 3-(5-chloro-7-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanamide?
The InChIKey is VYADOMNNKOGLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO2/c12-8-5-9(13)11-7(3-4-16-11)6(8)1-2-10(14)15/h5H,1-4H2,(H2,14,15).
What are the key properties of 3-(5-chloro-7-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanamide?
3-(5-chloro-7-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanamide has a molecular weight of 243.66 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-7-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanamide is sourced from PubChem (CID 19611694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).