N-(3-ethoxypropyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide

C16H20FNO3 — CID 60816584

IUPACN-(3-ethoxypropyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide
SMILESCCOCCCNC(=O)c1cc(F)ccc1C#CCCO
InChIInChI=1S/C16H20FNO3/c1-2-21-11-5-9-18-16(20)15-12-14(17)8-7-13(15)6-3-4-10-19/h7-8,12,19H,2,4-5,9-11H2,1H3,(H,18,20)
InChIKeySQSNSEBHGBLIAM-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.72
Rot. Bonds7

About N-(3-ethoxypropyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide

N-(3-ethoxypropyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide (PubChem CID 60816584) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide
PubChem CID60816584
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC NameN-(3-ethoxypropyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide
SMILESCCOCCCNC(=O)c1cc(F)ccc1C#CCCO
InChIInChI=1S/C16H20FNO3/c1-2-21-11-5-9-18-16(20)15-12-14(17)8-7-13(15)6-3-4-10-19/h7-8,12,19H,2,4-5,9-11H2,1H3,(H,18,20)
InChIKeySQSNSEBHGBLIAM-UHFFFAOYSA-N
XLogP1.72
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60816580
N-butyl-4-fluoro-2-(4-hydroxybut-1-ynyl)benzamide
CID 54922080
2-bromo-N-(3-ethoxypropyl)-5-fluorobenzamide
CID 24703752
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-pentylbenzamide
CID 60817066
5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)benzamide
CID 54921719
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-propylbenzamide
CID 60816255
N-(2-amino-2-oxoethyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide
CID 60816589
N-(3-ethoxypropyl)-4-fluoro-2-hydroxybenzamide
CID 103829625
2-(4-hydroxybut-1-ynyl)-N-(3-methoxypropyl)benzamide
CID 60815475
5-fluoro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzamide
CID 113364744
N-(3-ethoxypropyl)-3-(4-hydroxybut-1-ynyl)-5-methylbenzamide
CID 115999862
2-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-4-fluorobenzamide
CID 60822238

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide?
The IUPAC name of N-(3-ethoxypropyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide (CID 60816584) is N-(3-ethoxypropyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide.
What is the SMILES notation for N-(3-ethoxypropyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide?
The canonical SMILES for N-(3-ethoxypropyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide is CCOCCCNC(=O)c1cc(F)ccc1C#CCCO.
What is the InChIKey of N-(3-ethoxypropyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide?
The InChIKey is SQSNSEBHGBLIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-2-21-11-5-9-18-16(20)15-12-14(17)8-7-13(15)6-3-4-10-19/h7-8,12,19H,2,4-5,9-11H2,1H3,(H,18,20).
What are the key properties of N-(3-ethoxypropyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide?
N-(3-ethoxypropyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide has a molecular weight of 293.34 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide is sourced from PubChem (CID 60816584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).