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

C15H18FNO3 — CID 60816580

IUPACN-(3-ethoxypropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
SMILESCCOCCCNC(=O)c1ccc(F)cc1C#CCO
InChIInChI=1S/C15H18FNO3/c1-2-20-10-4-8-17-15(19)14-7-6-13(16)11-12(14)5-3-9-18/h6-7,11,18H,2,4,8-10H2,1H3,(H,17,19)
InChIKeyFKCMWEPCBXUGIU-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.33
Rot. Bonds6

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

N-(3-ethoxypropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide (PubChem CID 60816580) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
PubChem CID60816580
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC NameN-(3-ethoxypropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
SMILESCCOCCCNC(=O)c1ccc(F)cc1C#CCO
InChIInChI=1S/C15H18FNO3/c1-2-20-10-4-8-17-15(19)14-7-6-13(16)11-12(14)5-3-9-18/h6-7,11,18H,2,4,8-10H2,1H3,(H,17,19)
InChIKeyFKCMWEPCBXUGIU-UHFFFAOYSA-N
XLogP1.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.33
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

2-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-4-fluorobenzamide
CID 60822238
N-(3-ethoxypropyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide
CID 60816584
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(3-methylsulfanylpropyl)benzamide
CID 63960542
N-(3-ethoxypropyl)-4-fluoro-2-hydroxybenzamide
CID 103829625
N-butyl-4-fluoro-2-(4-hydroxybut-1-ynyl)benzamide
CID 54922080
N-(3-amino-3-oxopropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60821465
N-(2-ethoxy-2-methylpropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 114943850
2-bromo-N-(3-ethoxypropyl)-5-fluorobenzamide
CID 24703752
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-pentylbenzamide
CID 60817066
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 62978558
N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60816119
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-propylbenzamide
CID 60816255

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide?
The IUPAC name of N-(3-ethoxypropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide (CID 60816580) is N-(3-ethoxypropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide.
What is the SMILES notation for N-(3-ethoxypropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide?
The canonical SMILES for N-(3-ethoxypropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide is CCOCCCNC(=O)c1ccc(F)cc1C#CCO.
What is the InChIKey of N-(3-ethoxypropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide?
The InChIKey is FKCMWEPCBXUGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-2-20-10-4-8-17-15(19)14-7-6-13(16)11-12(14)5-3-9-18/h6-7,11,18H,2,4,8-10H2,1H3,(H,17,19).
What are the key properties of N-(3-ethoxypropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide?
N-(3-ethoxypropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide has a molecular weight of 279.31 g/mol, XLogP of 1.33, 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-(3-hydroxyprop-1-ynyl)benzamide is sourced from PubChem (CID 60816580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).