N-(2-ethoxy-2-methylpropyl)-4-fluoro-2-hydroxybenzamide

C13H18FNO3 — CID 105343049

IUPACN-(2-ethoxy-2-methylpropyl)-4-fluoro-2-hydroxybenzamide
SMILESCCOC(C)(C)CNC(=O)c1ccc(F)cc1O
InChIInChI=1S/C13H18FNO3/c1-4-18-13(2,3)8-15-12(17)10-6-5-9(14)7-11(10)16/h5-7,16H,4,8H2,1-3H3,(H,15,17)
InChIKeyAOIRJIQIULNDHD-UHFFFAOYSA-N
MW255.29 g/mol
LogP2.08
Rot. Bonds5

About N-(2-ethoxy-2-methylpropyl)-4-fluoro-2-hydroxybenzamide

N-(2-ethoxy-2-methylpropyl)-4-fluoro-2-hydroxybenzamide (PubChem CID 105343049) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is N-(2-ethoxy-2-methylpropyl)-4-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-ethoxy-2-methylpropyl)-4-fluoro-2-hydroxybenzamide
PubChem CID105343049
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC NameN-(2-ethoxy-2-methylpropyl)-4-fluoro-2-hydroxybenzamide
SMILESCCOC(C)(C)CNC(=O)c1ccc(F)cc1O
InChIInChI=1S/C13H18FNO3/c1-4-18-13(2,3)8-15-12(17)10-6-5-9(14)7-11(10)16/h5-7,16H,4,8H2,1-3H3,(H,15,17)
InChIKeyAOIRJIQIULNDHD-UHFFFAOYSA-N
XLogP2.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethoxy-2-methylpropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 114943850
4-fluoro-2-hydroxy-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 103830101
N-(3,3-dimethylbutyl)-4-fluoro-2-hydroxybenzamide
CID 113304540
2,4-dibromo-N-(2-ethoxy-2-methylpropyl)benzamide
CID 105343041
5-amino-N-(2-ethoxy-2-methylpropyl)-2,4-difluorobenzamide
CID 114940280
N-(2-ethoxypropyl)-4-fluoro-2-hydroxybenzamide
CID 113304594
N-(3-ethoxypropyl)-4-fluoro-2-hydroxybenzamide
CID 103829625
N-(2-ethoxy-2-methylpropyl)-2-methyl-4-(propylamino)benzamide
CID 114944148
4-bromo-N-(2-ethoxy-2-methylpropyl)-2-(trifluoromethyl)benzamide
CID 105343037
3-amino-N-(2-ethoxy-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide
CID 114944563
2,4-dihydroxy-N-(2-methoxy-2-methylpropyl)benzamide
CID 103714343
N-(2-ethoxy-2-methylpropyl)-2,5-difluoro-3-nitrobenzamide
CID 107122397

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-2-methylpropyl)-4-fluoro-2-hydroxybenzamide?
The IUPAC name of N-(2-ethoxy-2-methylpropyl)-4-fluoro-2-hydroxybenzamide (CID 105343049) is N-(2-ethoxy-2-methylpropyl)-4-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-(2-ethoxy-2-methylpropyl)-4-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-(2-ethoxy-2-methylpropyl)-4-fluoro-2-hydroxybenzamide is CCOC(C)(C)CNC(=O)c1ccc(F)cc1O.
What is the InChIKey of N-(2-ethoxy-2-methylpropyl)-4-fluoro-2-hydroxybenzamide?
The InChIKey is AOIRJIQIULNDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-4-18-13(2,3)8-15-12(17)10-6-5-9(14)7-11(10)16/h5-7,16H,4,8H2,1-3H3,(H,15,17).
What are the key properties of N-(2-ethoxy-2-methylpropyl)-4-fluoro-2-hydroxybenzamide?
N-(2-ethoxy-2-methylpropyl)-4-fluoro-2-hydroxybenzamide has a molecular weight of 255.29 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-2-methylpropyl)-4-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 105343049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).