N-(3-ethoxypropyl)-4-fluoro-2-hydroxybenzamide

C12H16FNO3 — CID 103829625

IUPACN-(3-ethoxypropyl)-4-fluoro-2-hydroxybenzamide
SMILESCCOCCCNC(=O)c1ccc(F)cc1O
InChIInChI=1S/C12H16FNO3/c1-2-17-7-3-6-14-12(16)10-5-4-9(13)8-11(10)15/h4-5,8,15H,2-3,6-7H2,1H3,(H,14,16)
InChIKeyOWEFLEGIZBKCCR-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.69
Rot. Bonds6

About N-(3-ethoxypropyl)-4-fluoro-2-hydroxybenzamide

N-(3-ethoxypropyl)-4-fluoro-2-hydroxybenzamide (PubChem CID 103829625) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-4-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-4-fluoro-2-hydroxybenzamide
PubChem CID103829625
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC NameN-(3-ethoxypropyl)-4-fluoro-2-hydroxybenzamide
SMILESCCOCCCNC(=O)c1ccc(F)cc1O
InChIInChI=1S/C12H16FNO3/c1-2-17-7-3-6-14-12(16)10-5-4-9(13)8-11(10)15/h4-5,8,15H,2-3,6-7H2,1H3,(H,14,16)
InChIKeyOWEFLEGIZBKCCR-UHFFFAOYSA-N
XLogP1.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

N-(3-butoxypropyl)-4-fluoro-2-hydroxybenzamide
CID 103829628
N-[3-(2-chloroethoxy)propyl]-4-fluoro-2-hydroxybenzamide
CID 106307111
4-fluoro-2-hydroxy-N-[4-(2-methoxyethoxy)butyl]benzamide
CID 103829912
2-bromo-N-(3-ethoxypropyl)-5-fluorobenzamide
CID 24703752
N-(3-ethoxypropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60816580
4-fluoro-2-hydroxy-N-[3-(2-methylpropanoylamino)propyl]benzamide
CID 86814360
4-fluoro-2-hydroxy-N-(4-methylpentyl)benzamide
CID 103829717
N-(3-ethoxypropyl)-2-fluoro-6-hydroxybenzamide
CID 104916529
4-bromo-N-(3-ethoxypropyl)-2-fluorobenzamide
CID 24691532
N-(4-aminobutyl)-4-fluoro-2-hydroxybenzamide
CID 107012875
4-[(4-fluoro-2-hydroxybenzoyl)amino]butanoic acid
CID 107013327
4-fluoro-2-hydroxy-N-(4-methylsulfanylbutyl)benzamide
CID 113304588

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-4-fluoro-2-hydroxybenzamide?
The IUPAC name of N-(3-ethoxypropyl)-4-fluoro-2-hydroxybenzamide (CID 103829625) is N-(3-ethoxypropyl)-4-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-(3-ethoxypropyl)-4-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-(3-ethoxypropyl)-4-fluoro-2-hydroxybenzamide is CCOCCCNC(=O)c1ccc(F)cc1O.
What is the InChIKey of N-(3-ethoxypropyl)-4-fluoro-2-hydroxybenzamide?
The InChIKey is OWEFLEGIZBKCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-2-17-7-3-6-14-12(16)10-5-4-9(13)8-11(10)15/h4-5,8,15H,2-3,6-7H2,1H3,(H,14,16).
What are the key properties of N-(3-ethoxypropyl)-4-fluoro-2-hydroxybenzamide?
N-(3-ethoxypropyl)-4-fluoro-2-hydroxybenzamide has a molecular weight of 241.26 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-4-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 103829625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).