N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide

C15H16FNO3 — CID 65160649

IUPACN-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)Nc1ccc(C#CCO)cc1F
InChIInChI=1S/C15H16FNO3/c16-13-9-11(3-1-7-18)5-6-14(13)17-15(19)10-12-4-2-8-20-12/h5-6,9,12,18H,2,4,7-8,10H2,(H,17,19)
InChIKeyBBOYHNZGKDEDNA-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.68
Rot. Bonds3

About N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide

N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide (PubChem CID 65160649) has the molecular formula C15H16FNO3 and a molecular weight of 277.30 g/mol. Its IUPAC name is N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide
PubChem CID65160649
Molecular FormulaC15H16FNO3
Molecular Weight277.30 g/mol
Exact Mass277.11
IUPAC NameN-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)Nc1ccc(C#CCO)cc1F
InChIInChI=1S/C15H16FNO3/c16-13-9-11(3-1-7-18)5-6-14(13)17-15(19)10-12-4-2-8-20-12/h5-6,9,12,18H,2,4,7-8,10H2,(H,17,19)
InChIKeyBBOYHNZGKDEDNA-UHFFFAOYSA-N
XLogP1.68
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide
CID 65160499
3-fluoro-4-[[2-[(2S)-oxan-2-yl]acetyl]amino]benzoic acid
CID 129372952
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2-(oxan-2-yl)acetamide
CID 102820893
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]cyclopropanecarboxamide
CID 60803979
N-(2-bromo-4-cyanophenyl)-2-(oxolan-2-yl)acetamide
CID 113234651
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-phenylacetamide
CID 60802437
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide
CID 107181275
3-[4-fluoro-3-[2-(oxolan-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 114675226
2-acetamido-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 54922713
2-cyclopropyl-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]propanamide
CID 83149306
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]cyclobutanecarboxamide
CID 60803530
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]octanamide
CID 60802780

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide (CID 65160649) is N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide is O=C(CC1CCCO1)Nc1ccc(C#CCO)cc1F.
What is the InChIKey of N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide?
The InChIKey is BBOYHNZGKDEDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c16-13-9-11(3-1-7-18)5-6-14(13)17-15(19)10-12-4-2-8-20-12/h5-6,9,12,18H,2,4,7-8,10H2,(H,17,19).
What are the key properties of N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide?
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide has a molecular weight of 277.30 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 65160649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).