2-ethyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]hexanamide

C17H24FNO2 — CID 46090178

IUPAC2-ethyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]hexanamide
SMILESCCCCC(CC)C(=O)NCC1Cc2cc(F)ccc2O1
InChIInChI=1S/C17H24FNO2/c1-3-5-6-12(4-2)17(20)19-11-15-10-13-9-14(18)7-8-16(13)21-15/h7-9,12,15H,3-6,10-11H2,1-2H3,(H,19,20)
InChIKeyVYZRRPNFTJWOJB-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.46
Rot. Bonds7

About 2-ethyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]hexanamide

2-ethyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]hexanamide (PubChem CID 46090178) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 2-ethyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]hexanamide.

Molecular Properties

Compound Name2-ethyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]hexanamide
PubChem CID46090178
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name2-ethyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]hexanamide
SMILESCCCCC(CC)C(=O)NCC1Cc2cc(F)ccc2O1
InChIInChI=1S/C17H24FNO2/c1-3-5-6-12(4-2)17(20)19-11-15-10-13-9-14(18)7-8-16(13)21-15/h7-9,12,15H,3-6,10-11H2,1-2H3,(H,19,20)
InChIKeyVYZRRPNFTJWOJB-UHFFFAOYSA-N
XLogP3.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]hexanamide?
The IUPAC name of 2-ethyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]hexanamide (CID 46090178) is 2-ethyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]hexanamide.
What is the SMILES notation for 2-ethyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]hexanamide?
The canonical SMILES for 2-ethyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]hexanamide is CCCCC(CC)C(=O)NCC1Cc2cc(F)ccc2O1.
What is the InChIKey of 2-ethyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]hexanamide?
The InChIKey is VYZRRPNFTJWOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-3-5-6-12(4-2)17(20)19-11-15-10-13-9-14(18)7-8-16(13)21-15/h7-9,12,15H,3-6,10-11H2,1-2H3,(H,19,20).
What are the key properties of 2-ethyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]hexanamide?
2-ethyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]hexanamide has a molecular weight of 293.38 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]hexanamide is sourced from PubChem (CID 46090178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).