N-[1-(3-fluorophenyl)ethyl]-5-hydroxypentanamide

C13H18FNO2 — CID 79199383

IUPACN-[1-(3-fluorophenyl)ethyl]-5-hydroxypentanamide
SMILESCC(NC(=O)CCCCO)c1cccc(F)c1
InChIInChI=1S/C13H18FNO2/c1-10(11-5-4-6-12(14)9-11)15-13(17)7-2-3-8-16/h4-6,9-10,16H,2-3,7-8H2,1H3,(H,15,17)
InChIKeyYVXSUIYAHGATBV-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.17
Rot. Bonds6

About N-[1-(3-fluorophenyl)ethyl]-5-hydroxypentanamide

N-[1-(3-fluorophenyl)ethyl]-5-hydroxypentanamide (PubChem CID 79199383) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)ethyl]-5-hydroxypentanamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)ethyl]-5-hydroxypentanamide
PubChem CID79199383
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC NameN-[1-(3-fluorophenyl)ethyl]-5-hydroxypentanamide
SMILESCC(NC(=O)CCCCO)c1cccc(F)c1
InChIInChI=1S/C13H18FNO2/c1-10(11-5-4-6-12(14)9-11)15-13(17)7-2-3-8-16/h4-6,9-10,16H,2-3,7-8H2,1H3,(H,15,17)
InChIKeyYVXSUIYAHGATBV-UHFFFAOYSA-N
XLogP2.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-(3-fluorophenyl)ethyl]-4-hydroxybutanamide
CID 81366330
6-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]hexanamide
CID 81366520
N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide
CID 81366054
2-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81365784
4-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentanamide
CID 81366180
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxybutanamide
CID 81349027
N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(prop-2-enylamino)acetamide
CID 81365829
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
N-[1-(4-tert-butylphenyl)ethyl]-5-hydroxypentanamide
CID 79198933
N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(propylamino)acetamide
CID 81365152
5-hydroxy-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide
CID 81356317
5-hydroxy-N-[(1S)-1-(4-methylphenyl)ethyl]pentanamide
CID 81355860

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)ethyl]-5-hydroxypentanamide?
The IUPAC name of N-[1-(3-fluorophenyl)ethyl]-5-hydroxypentanamide (CID 79199383) is N-[1-(3-fluorophenyl)ethyl]-5-hydroxypentanamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)ethyl]-5-hydroxypentanamide?
The canonical SMILES for N-[1-(3-fluorophenyl)ethyl]-5-hydroxypentanamide is CC(NC(=O)CCCCO)c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)ethyl]-5-hydroxypentanamide?
The InChIKey is YVXSUIYAHGATBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-10(11-5-4-6-12(14)9-11)15-13(17)7-2-3-8-16/h4-6,9-10,16H,2-3,7-8H2,1H3,(H,15,17).
What are the key properties of N-[1-(3-fluorophenyl)ethyl]-5-hydroxypentanamide?
N-[1-(3-fluorophenyl)ethyl]-5-hydroxypentanamide has a molecular weight of 239.29 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)ethyl]-5-hydroxypentanamide is sourced from PubChem (CID 79199383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).