5-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1-benzofuran-2-carboxamide

C13H14FNO3 — CID 109388505

IUPAC5-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1-benzofuran-2-carboxamide
SMILESCC(CO)N(C)C(=O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C13H14FNO3/c1-8(7-16)15(2)13(17)12-6-9-5-10(14)3-4-11(9)18-12/h3-6,8,16H,7H2,1-2H3
InChIKeyKXUMBGILILYUKA-UHFFFAOYSA-N
MW251.26 g/mol
LogP2.02
Rot. Bonds3

About 5-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1-benzofuran-2-carboxamide

5-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1-benzofuran-2-carboxamide (PubChem CID 109388505) has the molecular formula C13H14FNO3 and a molecular weight of 251.26 g/mol. Its IUPAC name is 5-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1-benzofuran-2-carboxamide
PubChem CID109388505
Molecular FormulaC13H14FNO3
Molecular Weight251.26 g/mol
Exact Mass251.10
IUPAC Name5-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1-benzofuran-2-carboxamide
SMILESCC(CO)N(C)C(=O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C13H14FNO3/c1-8(7-16)15(2)13(17)12-6-9-5-10(14)3-4-11(9)18-12/h3-6,8,16H,7H2,1-2H3
InChIKeyKXUMBGILILYUKA-UHFFFAOYSA-N
XLogP2.02
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
CID 65426130
5-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 115869516
5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzofuran-2-carboxamide
CID 111694876
2-amino-1-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114736167
N-[(E)-but-2-enyl]-5-fluoro-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 176698289
2,2-diethoxy-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114725706
2,2-difluoro-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114726024
1-(5-fluoro-1-benzofuran-2-yl)-2-methyl-3-(methylamino)propan-1-one
CID 114736896
N-(4-amino-4-hydroxyiminobutan-2-yl)-N,5-dimethyl-1-benzofuran-2-carboxamide
CID 76987605
3-amino-1-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114736778
2-(aminomethyl)-1-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-1-one
CID 114737121
2-[methyl-(5-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 62627105

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1-benzofuran-2-carboxamide (CID 109388505) is 5-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1-benzofuran-2-carboxamide is CC(CO)N(C)C(=O)c1cc2cc(F)ccc2o1.
What is the InChIKey of 5-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1-benzofuran-2-carboxamide?
The InChIKey is KXUMBGILILYUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3/c1-8(7-16)15(2)13(17)12-6-9-5-10(14)3-4-11(9)18-12/h3-6,8,16H,7H2,1-2H3.
What are the key properties of 5-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1-benzofuran-2-carboxamide?
5-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1-benzofuran-2-carboxamide has a molecular weight of 251.26 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 109388505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).