N-(2-ethylbutyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide

C16H20FNO2 — CID 115612802

IUPACN-(2-ethylbutyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCCC(CC)CNC(=O)c1oc2c(F)cccc2c1C
InChIInChI=1S/C16H20FNO2/c1-4-11(5-2)9-18-16(19)14-10(3)12-7-6-8-13(17)15(12)20-14/h6-8,11H,4-5,9H2,1-3H3,(H,18,19)
InChIKeyFEJDJLIPNBGENX-UHFFFAOYSA-N
MW277.34 g/mol
LogP4.05
Rot. Bonds5

About N-(2-ethylbutyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide

N-(2-ethylbutyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 115612802) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is N-(2-ethylbutyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
PubChem CID115612802
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC NameN-(2-ethylbutyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCCC(CC)CNC(=O)c1oc2c(F)cccc2c1C
InChIInChI=1S/C16H20FNO2/c1-4-11(5-2)9-18-16(19)14-10(3)12-7-6-8-13(17)15(12)20-14/h6-8,11H,4-5,9H2,1-3H3,(H,18,19)
InChIKeyFEJDJLIPNBGENX-UHFFFAOYSA-N
XLogP4.05
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-N-(2-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide
CID 43393388
(2S)-3-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 107832842
7-fluoro-N-(4-hydroxy-2-methylbutyl)-3-methyl-1-benzofuran-2-carboxamide
CID 66106213
7-fluoro-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 17459181
N-(2-bromoprop-2-enyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 47439011
7-fluoro-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 9442142
N-tert-butyl-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344598
7-fluoro-3-methyl-N-[(3-methyloxetan-3-yl)methyl]-1-benzofuran-2-carboxamide
CID 78956970
N-[2-[(2S)-butan-2-yl]phenyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344832
N-ethyl-7-fluoro-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide
CID 123307514
7-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 112548198
7-fluoro-N-(2-hydroxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 46665379

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-ethylbutyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide (CID 115612802) is N-(2-ethylbutyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-ethylbutyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-ethylbutyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide is CCC(CC)CNC(=O)c1oc2c(F)cccc2c1C.
What is the InChIKey of N-(2-ethylbutyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is FEJDJLIPNBGENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-4-11(5-2)9-18-16(19)14-10(3)12-7-6-8-13(17)15(12)20-14/h6-8,11H,4-5,9H2,1-3H3,(H,18,19).
What are the key properties of N-(2-ethylbutyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide?
N-(2-ethylbutyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 277.34 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 115612802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).