N-(2-ethoxy-2-methylpropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide

C16H20FNO3 — CID 114943850

IUPACN-(2-ethoxy-2-methylpropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
SMILESCCOC(C)(C)CNC(=O)c1ccc(F)cc1C#CCO
InChIInChI=1S/C16H20FNO3/c1-4-21-16(2,3)11-18-15(20)14-8-7-13(17)10-12(14)6-5-9-19/h7-8,10,19H,4,9,11H2,1-3H3,(H,18,20)
InChIKeyXNBATAQWVAVKDL-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.71
Rot. Bonds5

About N-(2-ethoxy-2-methylpropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide

N-(2-ethoxy-2-methylpropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide (PubChem CID 114943850) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is N-(2-ethoxy-2-methylpropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide.

Molecular Properties

Compound NameN-(2-ethoxy-2-methylpropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
PubChem CID114943850
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC NameN-(2-ethoxy-2-methylpropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
SMILESCCOC(C)(C)CNC(=O)c1ccc(F)cc1C#CCO
InChIInChI=1S/C16H20FNO3/c1-4-21-16(2,3)11-18-15(20)14-8-7-13(17)10-12(14)6-5-9-19/h7-8,10,19H,4,9,11H2,1-3H3,(H,18,20)
InChIKeyXNBATAQWVAVKDL-UHFFFAOYSA-N
XLogP1.71
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethoxy-2-methylpropyl)-4-fluoro-2-hydroxybenzamide
CID 105343049
N-(2,2-dimethylbutyl)-4-fluoro-2-(4-hydroxybut-1-ynyl)benzamide
CID 103463889
N-(3-ethoxypropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60816580
N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60816119
2-(3-hydroxyprop-1-ynyl)-N-(2-methoxy-2-methylpropyl)-4-methylbenzamide
CID 104764878
ethyl 2-[[5-fluoro-2-(3-hydroxyprop-1-ynyl)benzoyl]amino]acetate
CID 60820951
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-propylbenzamide
CID 60816255
N-(3-amino-3-oxopropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60821465
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(3-methylsulfanylpropyl)benzamide
CID 63960542
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(3-methylbutan-2-yl)benzamide
CID 54921677
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide
CID 64688470
N-butyl-4-fluoro-2-(4-hydroxybut-1-ynyl)benzamide
CID 54922080

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-2-methylpropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide?
The IUPAC name of N-(2-ethoxy-2-methylpropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide (CID 114943850) is N-(2-ethoxy-2-methylpropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide.
What is the SMILES notation for N-(2-ethoxy-2-methylpropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide?
The canonical SMILES for N-(2-ethoxy-2-methylpropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide is CCOC(C)(C)CNC(=O)c1ccc(F)cc1C#CCO.
What is the InChIKey of N-(2-ethoxy-2-methylpropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide?
The InChIKey is XNBATAQWVAVKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-4-21-16(2,3)11-18-15(20)14-8-7-13(17)10-12(14)6-5-9-19/h7-8,10,19H,4,9,11H2,1-3H3,(H,18,20).
What are the key properties of N-(2-ethoxy-2-methylpropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide?
N-(2-ethoxy-2-methylpropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide has a molecular weight of 293.34 g/mol, XLogP of 1.71, 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-(3-hydroxyprop-1-ynyl)benzamide is sourced from PubChem (CID 114943850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).