5-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C17H24FNO3 — CID 111697479

IUPAC5-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC(C)CC(CCO)CNC(=O)C1Cc2cc(F)ccc2O1
InChIInChI=1S/C17H24FNO3/c1-11(2)7-12(5-6-20)10-19-17(21)16-9-13-8-14(18)3-4-15(13)22-16/h3-4,8,11-12,16,20H,5-7,9-10H2,1-2H3,(H,19,21)
InChIKeyITFSOILPTRYXMU-UHFFFAOYSA-N
MW309.38 g/mol
LogP2.29
Rot. Bonds7

About 5-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,3-dihydro-1-benzofuran-2-carboxamide

5-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 111697479) has the molecular formula C17H24FNO3 and a molecular weight of 309.38 g/mol. Its IUPAC name is 5-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID111697479
Molecular FormulaC17H24FNO3
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Name5-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC(C)CC(CCO)CNC(=O)C1Cc2cc(F)ccc2O1
InChIInChI=1S/C17H24FNO3/c1-11(2)7-12(5-6-20)10-19-17(21)16-9-13-8-14(18)3-4-15(13)22-16/h3-4,8,11-12,16,20H,5-7,9-10H2,1-2H3,(H,19,21)
InChIKeyITFSOILPTRYXMU-UHFFFAOYSA-N
XLogP2.29
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-N-(4-hydroxy-2-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111447538
5-fluoro-N-[2-(hydroxymethyl)-3-pyridin-3-ylpropyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 154835434
N-benzyl-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 146132730
5-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111477277
5-fluoro-N-[(1-hydroxycyclohexyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111485862
5-fluoro-N-[2-[(2-phenylacetyl)amino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 75372981
5-fluoro-2-hydroxy-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111860779
2-(2-methylpropylcarbamoyl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 65368048
N-(2-amino-4-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 107158766
3-[(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]-2-methylpropanoic acid
CID 62676584
2-[[(5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 119253076
(2S)-5-fluoro-N-[2-methyl-2-[(2R)-oxan-2-yl]propyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 96541205

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of 5-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 111697479) is 5-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,3-dihydro-1-benzofuran-2-carboxamide is CC(C)CC(CCO)CNC(=O)C1Cc2cc(F)ccc2O1.
What is the InChIKey of 5-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is ITFSOILPTRYXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO3/c1-11(2)7-12(5-6-20)10-19-17(21)16-9-13-8-14(18)3-4-15(13)22-16/h3-4,8,11-12,16,20H,5-7,9-10H2,1-2H3,(H,19,21).
What are the key properties of 5-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
5-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 309.38 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 111697479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).