2-fluoro-6-hydroxy-N-[2-oxo-2-(propylamino)ethyl]benzamide

C12H15FN2O3 — CID 104916754

IUPAC2-fluoro-6-hydroxy-N-[2-oxo-2-(propylamino)ethyl]benzamide
SMILESCCCNC(=O)CNC(=O)c1c(O)cccc1F
InChIInChI=1S/C12H15FN2O3/c1-2-6-14-10(17)7-15-12(18)11-8(13)4-3-5-9(11)16/h3-5,16H,2,6-7H2,1H3,(H,14,17)(H,15,18)
InChIKeyFYFYAVXZPULHME-UHFFFAOYSA-N
MW254.26 g/mol
LogP0.79
Rot. Bonds5

About 2-fluoro-6-hydroxy-N-[2-oxo-2-(propylamino)ethyl]benzamide

2-fluoro-6-hydroxy-N-[2-oxo-2-(propylamino)ethyl]benzamide (PubChem CID 104916754) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is 2-fluoro-6-hydroxy-N-[2-oxo-2-(propylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-6-hydroxy-N-[2-oxo-2-(propylamino)ethyl]benzamide
PubChem CID104916754
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC Name2-fluoro-6-hydroxy-N-[2-oxo-2-(propylamino)ethyl]benzamide
SMILESCCCNC(=O)CNC(=O)c1c(O)cccc1F
InChIInChI=1S/C12H15FN2O3/c1-2-6-14-10(17)7-15-12(18)11-8(13)4-3-5-9(11)16/h3-5,16H,2,6-7H2,1H3,(H,14,17)(H,15,18)
InChIKeyFYFYAVXZPULHME-UHFFFAOYSA-N
XLogP0.79
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163327
N-(2-amino-2-oxoethyl)-2-fluoro-6-hydroxybenzamide
CID 104917526
N-[2-(diethylamino)-2-oxoethyl]-2-fluoro-6-hydroxybenzamide
CID 104917096
N-(3,3-dimethyl-2-oxobutyl)-2-fluoro-6-hydroxybenzamide
CID 104920518
2-fluoro-6-hydroxy-N-(3-methyl-2-oxobutyl)benzamide
CID 104920523
N-(2-chloroethyl)-2-fluoro-6-hydroxybenzamide
CID 107016788
methyl 3-[(2-fluoro-6-hydroxybenzoyl)amino]propanoate
CID 104916458
N-(2-bromopentyl)-2-fluoro-6-hydroxybenzamide
CID 107016983
N-(3-ethoxypropyl)-2-fluoro-6-hydroxybenzamide
CID 104916529
N-[3-(diethylamino)propyl]-2-fluoro-6-hydroxybenzamide
CID 104916525
2-hydroxy-6-methoxy-N-propylbenzamide
CID 84579124
N-(3-bromopropyl)-2-fluoro-6-hydroxybenzamide
CID 107016848

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-hydroxy-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The IUPAC name of 2-fluoro-6-hydroxy-N-[2-oxo-2-(propylamino)ethyl]benzamide (CID 104916754) is 2-fluoro-6-hydroxy-N-[2-oxo-2-(propylamino)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-6-hydroxy-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The canonical SMILES for 2-fluoro-6-hydroxy-N-[2-oxo-2-(propylamino)ethyl]benzamide is CCCNC(=O)CNC(=O)c1c(O)cccc1F.
What is the InChIKey of 2-fluoro-6-hydroxy-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The InChIKey is FYFYAVXZPULHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-2-6-14-10(17)7-15-12(18)11-8(13)4-3-5-9(11)16/h3-5,16H,2,6-7H2,1H3,(H,14,17)(H,15,18).
What are the key properties of 2-fluoro-6-hydroxy-N-[2-oxo-2-(propylamino)ethyl]benzamide?
2-fluoro-6-hydroxy-N-[2-oxo-2-(propylamino)ethyl]benzamide has a molecular weight of 254.26 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-hydroxy-N-[2-oxo-2-(propylamino)ethyl]benzamide is sourced from PubChem (CID 104916754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).