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

C15H18FNO4 — CID 115902514

IUPAC7-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCOCCN(CCO)C(=O)c1oc2c(F)cccc2c1C
InChIInChI=1S/C15H18FNO4/c1-10-11-4-3-5-12(16)14(11)21-13(10)15(19)17(6-8-18)7-9-20-2/h3-5,18H,6-9H2,1-2H3
InChIKeyKENBHZQJFIFVTA-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.96
Rot. Bonds6

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

7-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 115902514) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is 7-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID115902514
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name7-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCOCCN(CCO)C(=O)c1oc2c(F)cccc2c1C
InChIInChI=1S/C15H18FNO4/c1-10-11-4-3-5-12(16)14(11)21-13(10)15(19)17(6-8-18)7-9-20-2/h3-5,18H,6-9H2,1-2H3
InChIKeyKENBHZQJFIFVTA-UHFFFAOYSA-N
XLogP1.96
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-7-fluoro-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide
CID 123307514
7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 31285128
[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 8951005
7-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 112548198
2-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid
CID 43241826
7-fluoro-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 17459181
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
2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methylbenzamide
CID 115902345
2,3-difluoro-N,N-bis(2-methoxyethyl)benzamide
CID 62661170
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 113339830
N-tert-butyl-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344598

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 7-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide (CID 115902514) is 7-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide is COCCN(CCO)C(=O)c1oc2c(F)cccc2c1C.
What is the InChIKey of 7-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is KENBHZQJFIFVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-10-11-4-3-5-12(16)14(11)21-13(10)15(19)17(6-8-18)7-9-20-2/h3-5,18H,6-9H2,1-2H3.
What are the key properties of 7-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide?
7-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 295.31 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 115902514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).