5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzofuran-2-carboxamide

C14H16FNO3 — CID 111694876

IUPAC5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzofuran-2-carboxamide
SMILESCN(CC(C)(C)O)C(=O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C14H16FNO3/c1-14(2,18)8-16(3)13(17)12-7-9-6-10(15)4-5-11(9)19-12/h4-7,18H,8H2,1-3H3
InChIKeySKDJOFZTLWNFND-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.41
Rot. Bonds3

About 5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzofuran-2-carboxamide

5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzofuran-2-carboxamide (PubChem CID 111694876) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzofuran-2-carboxamide
PubChem CID111694876
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzofuran-2-carboxamide
SMILESCN(CC(C)(C)O)C(=O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C14H16FNO3/c1-14(2,18)8-16(3)13(17)12-7-9-6-10(15)4-5-11(9)19-12/h4-7,18H,8H2,1-3H3
InChIKeySKDJOFZTLWNFND-UHFFFAOYSA-N
XLogP2.41
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1-benzofuran-2-carboxamide
CID 109388505
1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
CID 65426130
3-amino-1-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114736778
4-fluoro-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzamide
CID 115746037
2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-one
CID 114726166
(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-5-methylphenyl)methanone
CID 114725891
2,2-difluoro-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114726024
N-[(E)-but-2-enyl]-5-fluoro-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 176698289
5-[(4-fluorophenoxy)methyl]-N-(2-hydroxy-2-methylpropyl)-N-methylfuran-2-carboxamide
CID 111579452
2-amino-1-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114736167
2,2,3,3,3-pentafluoro-1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
CID 114038355
2,2-diethoxy-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114725706

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzofuran-2-carboxamide (CID 111694876) is 5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzofuran-2-carboxamide is CN(CC(C)(C)O)C(=O)c1cc2cc(F)ccc2o1.
What is the InChIKey of 5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzofuran-2-carboxamide?
The InChIKey is SKDJOFZTLWNFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-14(2,18)8-16(3)13(17)12-7-9-6-10(15)4-5-11(9)19-12/h4-7,18H,8H2,1-3H3.
What are the key properties of 5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzofuran-2-carboxamide?
5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzofuran-2-carboxamide has a molecular weight of 265.28 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 111694876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).