2-[butyl-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]amino]acetamide

C14H19FN2O3 — CID 62053081

IUPAC2-[butyl-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]amino]acetamide
SMILESCCCCN(CC(N)=O)CC(=O)c1cc(F)ccc1O
InChIInChI=1S/C14H19FN2O3/c1-2-3-6-17(9-14(16)20)8-13(19)11-7-10(15)4-5-12(11)18/h4-5,7,18H,2-3,6,8-9H2,1H3,(H2,16,20)
InChIKeyGQJTYWJWCMUPRL-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.30
Rot. Bonds8

About 2-[butyl-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]amino]acetamide

2-[butyl-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]amino]acetamide (PubChem CID 62053081) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[butyl-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound Name2-[butyl-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]amino]acetamide
PubChem CID62053081
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name2-[butyl-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]amino]acetamide
SMILESCCCCN(CC(N)=O)CC(=O)c1cc(F)ccc1O
InChIInChI=1S/C14H19FN2O3/c1-2-3-6-17(9-14(16)20)8-13(19)11-7-10(15)4-5-12(11)18/h4-5,7,18H,2-3,6,8-9H2,1H3,(H2,16,20)
InChIKeyGQJTYWJWCMUPRL-UHFFFAOYSA-N
XLogP1.30
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[bis(2-hydroxyethyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone
CID 62050462
1-(5-fluoro-2-hydroxyphenyl)octan-1-one
CID 86007473
2-[butyl-[2-(4-ethylphenyl)-2-oxoethyl]amino]acetamide
CID 62052887
2-[butyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone
CID 62050932
2-[butyl-[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]acetamide
CID 110898529
2-[butyl-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]amino]acetamide
CID 62053083
2-[butyl-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]amino]acetamide
CID 111564959
2-[butyl-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]amino]acetamide
CID 62051917
2-[butyl-[(2-hydroxyphenyl)methyl]amino]acetamide
CID 82978056
1-(5-fluoro-2-hydroxyphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone
CID 62030728
1-(5-fluoro-2-hydroxyphenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone
CID 62029618
N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxybenzamide
CID 54942284

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]amino]acetamide?
The IUPAC name of 2-[butyl-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]amino]acetamide (CID 62053081) is 2-[butyl-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]amino]acetamide.
What is the SMILES notation for 2-[butyl-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]amino]acetamide?
The canonical SMILES for 2-[butyl-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]amino]acetamide is CCCCN(CC(N)=O)CC(=O)c1cc(F)ccc1O.
What is the InChIKey of 2-[butyl-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]amino]acetamide?
The InChIKey is GQJTYWJWCMUPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-2-3-6-17(9-14(16)20)8-13(19)11-7-10(15)4-5-12(11)18/h4-5,7,18H,2-3,6,8-9H2,1H3,(H2,16,20).
What are the key properties of 2-[butyl-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]amino]acetamide?
2-[butyl-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]amino]acetamide has a molecular weight of 282.31 g/mol, XLogP of 1.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 62053081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).