2-fluoro-N-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]benzamide

C13H17FN2O3 — CID 65110344

IUPAC2-fluoro-N-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]benzamide
SMILESCC(C)(O)CNC(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C13H17FN2O3/c1-13(2,19)8-16-11(17)7-15-12(18)9-5-3-4-6-10(9)14/h3-6,19H,7-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeySWQXJOHRSZFGGL-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.44
Rot. Bonds5

About 2-fluoro-N-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]benzamide

2-fluoro-N-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]benzamide (PubChem CID 65110344) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-fluoro-N-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]benzamide
PubChem CID65110344
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name2-fluoro-N-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]benzamide
SMILESCC(C)(O)CNC(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C13H17FN2O3/c1-13(2,19)8-16-11(17)7-15-12(18)9-5-3-4-6-10(9)14/h3-6,19H,7-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeySWQXJOHRSZFGGL-UHFFFAOYSA-N
XLogP0.44
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-oxoethyl]benzamide
CID 103711880
N-[2-[(2,2-difluoro-3-hydroxypropyl)amino]-2-oxoethyl]-2-fluorobenzamide
CID 104864887
2-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide
CID 82723711
2-fluoro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163327
2-fluoro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 40623473
2-fluoro-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
CID 18110116
2-fluoro-N-[2-(methoxyamino)-2-oxoethyl]benzamide
CID 60717185
2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79550785
2-fluoro-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide
CID 119742065
2-fluoro-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 579782
2-fluoro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 3424482
2-fluoro-N-[2-[3-(hydroxymethyl)pentan-3-ylamino]-2-oxoethyl]benzamide
CID 62517227

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]benzamide (CID 65110344) is 2-fluoro-N-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]benzamide is CC(C)(O)CNC(=O)CNC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]benzamide?
The InChIKey is SWQXJOHRSZFGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-13(2,19)8-16-11(17)7-15-12(18)9-5-3-4-6-10(9)14/h3-6,19H,7-8H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 2-fluoro-N-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]benzamide?
2-fluoro-N-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]benzamide has a molecular weight of 268.29 g/mol, XLogP of 0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 65110344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).