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

C15H12FNO2S — CID 9442142

IUPAC7-fluoro-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2cccs2)oc2c(F)cccc12
InChIInChI=1S/C15H12FNO2S/c1-9-11-5-2-6-12(16)14(11)19-13(9)15(18)17-8-10-4-3-7-20-10/h2-7H,8H2,1H3,(H,17,18)
InChIKeyPXVJFILVHWICJA-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.87
Rot. Bonds3

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

7-fluoro-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 9442142) has the molecular formula C15H12FNO2S and a molecular weight of 289.33 g/mol. Its IUPAC name is 7-fluoro-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID9442142
Molecular FormulaC15H12FNO2S
Molecular Weight289.33 g/mol
Exact Mass289.06
IUPAC Name7-fluoro-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2cccs2)oc2c(F)cccc12
InChIInChI=1S/C15H12FNO2S/c1-9-11-5-2-6-12(16)14(11)19-13(9)15(18)17-8-10-4-3-7-20-10/h2-7H,8H2,1H3,(H,17,18)
InChIKeyPXVJFILVHWICJA-UHFFFAOYSA-N
XLogP3.87
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-N-(2-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide
CID 43393388
N-(2-ethylbutyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 115612802
N-(2-bromoprop-2-enyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 47439011
(2S)-3-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 107832842
N-(1,3-benzodioxol-5-ylmethyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 8869046
7-fluoro-N-(4-hydroxy-2-methylbutyl)-3-methyl-1-benzofuran-2-carboxamide
CID 66106213
N-tert-butyl-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344598
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 8531492
7-fluoro-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 8589442
7-fluoro-N-(2-hydroxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 46665379
7-fluoro-3-methyl-N-(4-methylpiperazin-1-yl)-1-benzofuran-2-carboxamide
CID 9075061
N-[2-(1,3-benzothiazol-2-yl)ethyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 46823876

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-fluoro-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide (CID 9442142) is 7-fluoro-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-fluoro-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-fluoro-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCc2cccs2)oc2c(F)cccc12.
What is the InChIKey of 7-fluoro-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is PXVJFILVHWICJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2S/c1-9-11-5-2-6-12(16)14(11)19-13(9)15(18)17-8-10-4-3-7-20-10/h2-7H,8H2,1H3,(H,17,18).
What are the key properties of 7-fluoro-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
7-fluoro-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9442142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).