5-fluoro-N-(4-hydroxy-2-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide

C15H20FNO3 — CID 111447538

IUPAC5-fluoro-N-(4-hydroxy-2-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC(O)CC(C)CNC(=O)C1Cc2cc(F)ccc2O1
InChIInChI=1S/C15H20FNO3/c1-9(5-10(2)18)8-17-15(19)14-7-11-6-12(16)3-4-13(11)20-14/h3-4,6,9-10,14,18H,5,7-8H2,1-2H3,(H,17,19)
InChIKeyMDGFNODWWFGUGE-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.65
Rot. Bonds5

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

5-fluoro-N-(4-hydroxy-2-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 111447538) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 5-fluoro-N-(4-hydroxy-2-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(4-hydroxy-2-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID111447538
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name5-fluoro-N-(4-hydroxy-2-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC(O)CC(C)CNC(=O)C1Cc2cc(F)ccc2O1
InChIInChI=1S/C15H20FNO3/c1-9(5-10(2)18)8-17-15(19)14-7-11-6-12(16)3-4-13(11)20-14/h3-4,6,9-10,14,18H,5,7-8H2,1-2H3,(H,17,19)
InChIKeyMDGFNODWWFGUGE-UHFFFAOYSA-N
XLogP1.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111697479
N-benzyl-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 146132730
5-fluoro-N-[2-[(2-phenylacetyl)amino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 75372981
5-fluoro-N-[(1-hydroxycyclohexyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111485862
5-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111477277
3-[(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]-2-methylpropanoic acid
CID 62676584
(2S)-5-fluoro-N-[2-methyl-2-[(2R)-oxan-2-yl]propyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 96541205
5-fluoro-N-[2-(hydroxymethyl)-3-pyridin-3-ylpropyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 154835434
5-chloro-N-[2-(methylamino)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 120831314
2-(2-methylpropylcarbamoyl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 65368048
(2S)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 39956758
N-(3-amino-2-hydroxy-3-oxopropyl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 106164157

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(4-hydroxy-2-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of 5-fluoro-N-(4-hydroxy-2-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 111447538) is 5-fluoro-N-(4-hydroxy-2-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-(4-hydroxy-2-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-fluoro-N-(4-hydroxy-2-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide is CC(O)CC(C)CNC(=O)C1Cc2cc(F)ccc2O1.
What is the InChIKey of 5-fluoro-N-(4-hydroxy-2-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is MDGFNODWWFGUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-9(5-10(2)18)8-17-15(19)14-7-11-6-12(16)3-4-13(11)20-14/h3-4,6,9-10,14,18H,5,7-8H2,1-2H3,(H,17,19).
What are the key properties of 5-fluoro-N-(4-hydroxy-2-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
5-fluoro-N-(4-hydroxy-2-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 281.33 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(4-hydroxy-2-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 111447538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).