N-(3-ethoxypropyl)-2-fluoro-6-hydroxybenzamide

C12H16FNO3 — CID 104916529

IUPACN-(3-ethoxypropyl)-2-fluoro-6-hydroxybenzamide
SMILESCCOCCCNC(=O)c1c(O)cccc1F
InChIInChI=1S/C12H16FNO3/c1-2-17-8-4-7-14-12(16)11-9(13)5-3-6-10(11)15/h3,5-6,15H,2,4,7-8H2,1H3,(H,14,16)
InChIKeyKAWFEWANRHIGIK-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.69
Rot. Bonds6

About N-(3-ethoxypropyl)-2-fluoro-6-hydroxybenzamide

N-(3-ethoxypropyl)-2-fluoro-6-hydroxybenzamide (PubChem CID 104916529) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-fluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-fluoro-6-hydroxybenzamide
PubChem CID104916529
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC NameN-(3-ethoxypropyl)-2-fluoro-6-hydroxybenzamide
SMILESCCOCCCNC(=O)c1c(O)cccc1F
InChIInChI=1S/C12H16FNO3/c1-2-17-8-4-7-14-12(16)11-9(13)5-3-6-10(11)15/h3,5-6,15H,2,4,7-8H2,1H3,(H,14,16)
InChIKeyKAWFEWANRHIGIK-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-ethoxypropyl)-4-fluoro-2-hydroxybenzamide
CID 103829625
N-(3-bromopropyl)-2-fluoro-6-hydroxybenzamide
CID 107016848
N-[3-(diethylamino)propyl]-2-fluoro-6-hydroxybenzamide
CID 104916525
N-[2-(2-aminoethoxy)ethyl]-2-fluoro-6-hydroxybenzamide
CID 107017062
N'-(2,6-difluorophenyl)-N-(3-ethoxypropyl)oxamide
CID 47225872
4-[(2-fluoro-6-hydroxybenzoyl)amino]butanoic acid
CID 107013328
N-[3-(2-chloroethoxy)propyl]-2,6-dihydroxybenzamide
CID 106307093
N-(6-bromohexyl)-2-fluoro-6-hydroxybenzamide
CID 114008519
N-(5-chloropentyl)-2-fluoro-6-hydroxybenzamide
CID 107321513
methyl 3-[(2-fluoro-6-hydroxybenzoyl)amino]propanoate
CID 104916458
4-bromo-N-(3-ethoxypropyl)-2-fluorobenzamide
CID 24691532
N-(2-chloroethyl)-2-fluoro-6-hydroxybenzamide
CID 107016788

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-fluoro-6-hydroxybenzamide?
The IUPAC name of N-(3-ethoxypropyl)-2-fluoro-6-hydroxybenzamide (CID 104916529) is N-(3-ethoxypropyl)-2-fluoro-6-hydroxybenzamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-fluoro-6-hydroxybenzamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-fluoro-6-hydroxybenzamide is CCOCCCNC(=O)c1c(O)cccc1F.
What is the InChIKey of N-(3-ethoxypropyl)-2-fluoro-6-hydroxybenzamide?
The InChIKey is KAWFEWANRHIGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-2-17-8-4-7-14-12(16)11-9(13)5-3-6-10(11)15/h3,5-6,15H,2,4,7-8H2,1H3,(H,14,16).
What are the key properties of N-(3-ethoxypropyl)-2-fluoro-6-hydroxybenzamide?
N-(3-ethoxypropyl)-2-fluoro-6-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)-2-fluoro-6-hydroxybenzamide is sourced from PubChem (CID 104916529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).