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

C15H18FNO3 — CID 111447978

IUPAC5-fluoro-N-(4-hydroxy-2-methylpentyl)-1-benzofuran-2-carboxamide
SMILESCC(O)CC(C)CNC(=O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C15H18FNO3/c1-9(5-10(2)18)8-17-15(19)14-7-11-6-12(16)3-4-13(11)20-14/h3-4,6-7,9-10,18H,5,8H2,1-2H3,(H,17,19)
InChIKeyDHIQXVQFUBVIRL-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.71
Rot. Bonds5

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

5-fluoro-N-(4-hydroxy-2-methylpentyl)-1-benzofuran-2-carboxamide (PubChem CID 111447978) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 5-fluoro-N-(4-hydroxy-2-methylpentyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(4-hydroxy-2-methylpentyl)-1-benzofuran-2-carboxamide
PubChem CID111447978
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name5-fluoro-N-(4-hydroxy-2-methylpentyl)-1-benzofuran-2-carboxamide
SMILESCC(O)CC(C)CNC(=O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C15H18FNO3/c1-9(5-10(2)18)8-17-15(19)14-7-11-6-12(16)3-4-13(11)20-14/h3-4,6-7,9-10,18H,5,8H2,1-2H3,(H,17,19)
InChIKeyDHIQXVQFUBVIRL-UHFFFAOYSA-N
XLogP2.71
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide
CID 111425569
5-amino-N-[(2S)-2-hydroxypropyl]-1-benzofuran-2-carboxamide
CID 107211116
1-(5-fluoro-1-benzofuran-2-yl)-2-methyl-3-(methylamino)propan-1-one
CID 114736896
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-5-fluoro-1-benzofuran-2-carboxamide
CID 111697870
N-(2-hydroxy-4-methylpentyl)-5-methyl-1-benzofuran-2-carboxamide
CID 103771495
5-amino-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102903170
N-(2-chloropropyl)-5-methyl-1-benzofuran-2-carboxamide
CID 114296664
5-amino-N-(2,3-dimethylbutyl)-1-benzofuran-2-carboxamide
CID 64571210
2-amino-1-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114736167
1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
CID 65426130
2-(aminomethyl)-1-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-1-one
CID 114737121
N-(2-aminopropyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 69484360

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(4-hydroxy-2-methylpentyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-fluoro-N-(4-hydroxy-2-methylpentyl)-1-benzofuran-2-carboxamide (CID 111447978) is 5-fluoro-N-(4-hydroxy-2-methylpentyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-(4-hydroxy-2-methylpentyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-fluoro-N-(4-hydroxy-2-methylpentyl)-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)-1-benzofuran-2-carboxamide?
The InChIKey is DHIQXVQFUBVIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-9(5-10(2)18)8-17-15(19)14-7-11-6-12(16)3-4-13(11)20-14/h3-4,6-7,9-10,18H,5,8H2,1-2H3,(H,17,19).
What are the key properties of 5-fluoro-N-(4-hydroxy-2-methylpentyl)-1-benzofuran-2-carboxamide?
5-fluoro-N-(4-hydroxy-2-methylpentyl)-1-benzofuran-2-carboxamide has a molecular weight of 279.31 g/mol, XLogP of 2.71, 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)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 111447978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).