N-(2-ethyl-2-hydroxybutyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

C16H20FNO3 — CID 65112503

IUPACN-(2-ethyl-2-hydroxybutyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C16H20FNO3/c1-4-16(20,5-2)9-18-15(19)14-10(3)12-8-11(17)6-7-13(12)21-14/h6-8,20H,4-5,9H2,1-3H3,(H,18,19)
InChIKeyLWGXPSCBWJODLG-UHFFFAOYSA-N
MW293.34 g/mol
LogP3.16
Rot. Bonds5

About N-(2-ethyl-2-hydroxybutyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

N-(2-ethyl-2-hydroxybutyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 65112503) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
PubChem CID65112503
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C16H20FNO3/c1-4-16(20,5-2)9-18-15(19)14-10(3)12-8-11(17)6-7-13(12)21-14/h6-8,20H,4-5,9H2,1-3H3,(H,18,19)
InChIKeyLWGXPSCBWJODLG-UHFFFAOYSA-N
XLogP3.16
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate
CID 47257353
N-(3-ethylpent-1-yn-3-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 18165923
N-ethoxy-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 18169026
2-[2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119242438
2-[2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]ethoxy]acetic acid
CID 79468905
5-fluoro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide
CID 79675667
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]oxyacetic acid
CID 60708400
5-fluoro-3-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 92600014
5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 8935487
N-[[3-(diethylaminomethyl)phenyl]methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 55854007
5-fluoro-3-methyl-N'-(3-methylbutanoyl)-1-benzofuran-2-carbohydrazide
CID 17441780
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-3-methylpentanoic acid
CID 119212059

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide (CID 65112503) is N-(2-ethyl-2-hydroxybutyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide is CCC(O)(CC)CNC(=O)c1oc2ccc(F)cc2c1C.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is LWGXPSCBWJODLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-4-16(20,5-2)9-18-15(19)14-10(3)12-8-11(17)6-7-13(12)21-14/h6-8,20H,4-5,9H2,1-3H3,(H,18,19).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
N-(2-ethyl-2-hydroxybutyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 293.34 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 65112503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).