N-(2-ethoxypropyl)-4-fluoro-2-hydroxybenzamide

C12H16FNO3 — CID 113304594

IUPACN-(2-ethoxypropyl)-4-fluoro-2-hydroxybenzamide
SMILESCCOC(C)CNC(=O)c1ccc(F)cc1O
InChIInChI=1S/C12H16FNO3/c1-3-17-8(2)7-14-12(16)10-5-4-9(13)6-11(10)15/h4-6,8,15H,3,7H2,1-2H3,(H,14,16)
InChIKeyMKXDXMRPIHVTEC-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.69
Rot. Bonds5

About N-(2-ethoxypropyl)-4-fluoro-2-hydroxybenzamide

N-(2-ethoxypropyl)-4-fluoro-2-hydroxybenzamide (PubChem CID 113304594) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is N-(2-ethoxypropyl)-4-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-ethoxypropyl)-4-fluoro-2-hydroxybenzamide
PubChem CID113304594
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC NameN-(2-ethoxypropyl)-4-fluoro-2-hydroxybenzamide
SMILESCCOC(C)CNC(=O)c1ccc(F)cc1O
InChIInChI=1S/C12H16FNO3/c1-3-17-8(2)7-14-12(16)10-5-4-9(13)6-11(10)15/h4-6,8,15H,3,7H2,1-2H3,(H,14,16)
InChIKeyMKXDXMRPIHVTEC-UHFFFAOYSA-N
XLogP1.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-hydroxy-N-(2-methoxypropyl)benzamide
CID 102737733
2-[[(4-fluoro-2-hydroxybenzoyl)amino]methyl]-3-methylbutanoic acid
CID 107013642
N-(2-ethoxypropyl)-2-fluoro-4-sulfamoylbenzamide
CID 115883708
4-fluoro-2-hydroxy-N-(2-phenylpropyl)benzamide
CID 103829491
N-(4-bromo-2-ethylbutyl)-4-fluoro-2-hydroxybenzamide
CID 107016911
2-amino-N-(2-ethoxypropyl)-5-hydroxybenzamide
CID 107076037
N-(3-ethoxypropyl)-4-fluoro-2-hydroxybenzamide
CID 103829625
4-fluoro-2-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide
CID 103830009
N-(2-ethoxy-2-methylpropyl)-4-fluoro-2-hydroxybenzamide
CID 105343049
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluoro-2-hydroxybenzamide
CID 113304525
4-fluoro-2-hydroxy-N-[3-(2-methylpropanoylamino)propyl]benzamide
CID 86814360
4-fluoro-2-hydroxy-N-(4-methylpentyl)benzamide
CID 103829717

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxypropyl)-4-fluoro-2-hydroxybenzamide?
The IUPAC name of N-(2-ethoxypropyl)-4-fluoro-2-hydroxybenzamide (CID 113304594) is N-(2-ethoxypropyl)-4-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-(2-ethoxypropyl)-4-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-(2-ethoxypropyl)-4-fluoro-2-hydroxybenzamide is CCOC(C)CNC(=O)c1ccc(F)cc1O.
What is the InChIKey of N-(2-ethoxypropyl)-4-fluoro-2-hydroxybenzamide?
The InChIKey is MKXDXMRPIHVTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-3-17-8(2)7-14-12(16)10-5-4-9(13)6-11(10)15/h4-6,8,15H,3,7H2,1-2H3,(H,14,16).
What are the key properties of N-(2-ethoxypropyl)-4-fluoro-2-hydroxybenzamide?
N-(2-ethoxypropyl)-4-fluoro-2-hydroxybenzamide has a molecular weight of 241.26 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxypropyl)-4-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 113304594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).