N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]hexanamide

C16H20FNO2 — CID 65435280

IUPACN-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccc(C#CCCO)c(F)c1
InChIInChI=1S/C16H20FNO2/c1-2-3-4-8-16(20)18-14-10-9-13(15(17)12-14)7-5-6-11-19/h9-10,12,19H,2-4,6,8,11H2,1H3,(H,18,20)
InChIKeyWTXJKPNITAYBFN-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.08
Rot. Bonds6

About N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]hexanamide

N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]hexanamide (PubChem CID 65435280) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]hexanamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]hexanamide
PubChem CID65435280
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC NameN-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccc(C#CCCO)c(F)c1
InChIInChI=1S/C16H20FNO2/c1-2-3-4-8-16(20)18-14-10-9-13(15(17)12-14)7-5-6-11-19/h9-10,12,19H,2-4,6,8,11H2,1H3,(H,18,20)
InChIKeyWTXJKPNITAYBFN-UHFFFAOYSA-N
XLogP3.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]hexanamide?
The IUPAC name of N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]hexanamide (CID 65435280) is N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]hexanamide.
What is the SMILES notation for N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]hexanamide?
The canonical SMILES for N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]hexanamide is CCCCCC(=O)Nc1ccc(C#CCCO)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]hexanamide?
The InChIKey is WTXJKPNITAYBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-2-3-4-8-16(20)18-14-10-9-13(15(17)12-14)7-5-6-11-19/h9-10,12,19H,2-4,6,8,11H2,1H3,(H,18,20).
What are the key properties of N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]hexanamide?
N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]hexanamide has a molecular weight of 277.34 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]hexanamide is sourced from PubChem (CID 65435280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).