2-cyclobutyl-N-[[2-fluoro-5-(4-hydroxybut-1-ynyl)phenyl]methyl]acetamide

C17H20FNO2 — CID 103165231

IUPAC2-cyclobutyl-N-[[2-fluoro-5-(4-hydroxybut-1-ynyl)phenyl]methyl]acetamide
SMILESO=C(CC1CCC1)NCc1cc(C#CCCO)ccc1F
InChIInChI=1S/C17H20FNO2/c18-16-8-7-14(4-1-2-9-20)10-15(16)12-19-17(21)11-13-5-3-6-13/h7-8,10,13,20H,2-3,5-6,9,11-12H2,(H,19,21)
InChIKeyKHUVOYWIZILMJZ-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.37
Rot. Bonds5

About 2-cyclobutyl-N-[[2-fluoro-5-(4-hydroxybut-1-ynyl)phenyl]methyl]acetamide

2-cyclobutyl-N-[[2-fluoro-5-(4-hydroxybut-1-ynyl)phenyl]methyl]acetamide (PubChem CID 103165231) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-cyclobutyl-N-[[2-fluoro-5-(4-hydroxybut-1-ynyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclobutyl-N-[[2-fluoro-5-(4-hydroxybut-1-ynyl)phenyl]methyl]acetamide
PubChem CID103165231
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name2-cyclobutyl-N-[[2-fluoro-5-(4-hydroxybut-1-ynyl)phenyl]methyl]acetamide
SMILESO=C(CC1CCC1)NCc1cc(C#CCCO)ccc1F
InChIInChI=1S/C17H20FNO2/c18-16-8-7-14(4-1-2-9-20)10-15(16)12-19-17(21)11-13-5-3-6-13/h7-8,10,13,20H,2-3,5-6,9,11-12H2,(H,19,21)
InChIKeyKHUVOYWIZILMJZ-UHFFFAOYSA-N
XLogP2.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-fluoro-5-(4-hydroxybut-1-ynyl)phenyl]methylurea
CID 54967183
2-cyclopentyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60805116
2-cyclopentyl-N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]acetamide
CID 60803544
2-cyclohexyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60803356
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]cyclobutanecarboxamide
CID 60803530
(E)-3-[3-[[(2-cyclobutylacetyl)amino]methyl]-4-fluorophenyl]prop-2-enoic acid
CID 103166336
N-(cyclobutylmethyl)-2-fluoro-4-(4-hydroxybut-1-ynyl)-N-methylbenzamide
CID 62855704
N-[(4-cyano-2-fluorophenyl)methyl]-2-cyclopropylacetamide
CID 55188581
N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]-2-cyclopropylacetamide
CID 62915790
N-[[5-(3-aminoprop-1-ynyl)-2-fluorophenyl]methyl]cyclopropanecarboxamide
CID 54966575
2-fluoro-5-(4-hydroxybut-1-ynyl)-N-(thiolan-3-ylmethyl)benzamide
CID 107297902
4-[4-(cyclohexylmethoxymethyl)-3-fluorophenyl]but-3-yn-1-ol
CID 62383213

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[[2-fluoro-5-(4-hydroxybut-1-ynyl)phenyl]methyl]acetamide?
The IUPAC name of 2-cyclobutyl-N-[[2-fluoro-5-(4-hydroxybut-1-ynyl)phenyl]methyl]acetamide (CID 103165231) is 2-cyclobutyl-N-[[2-fluoro-5-(4-hydroxybut-1-ynyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-cyclobutyl-N-[[2-fluoro-5-(4-hydroxybut-1-ynyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-cyclobutyl-N-[[2-fluoro-5-(4-hydroxybut-1-ynyl)phenyl]methyl]acetamide is O=C(CC1CCC1)NCc1cc(C#CCCO)ccc1F.
What is the InChIKey of 2-cyclobutyl-N-[[2-fluoro-5-(4-hydroxybut-1-ynyl)phenyl]methyl]acetamide?
The InChIKey is KHUVOYWIZILMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c18-16-8-7-14(4-1-2-9-20)10-15(16)12-19-17(21)11-13-5-3-6-13/h7-8,10,13,20H,2-3,5-6,9,11-12H2,(H,19,21).
What are the key properties of 2-cyclobutyl-N-[[2-fluoro-5-(4-hydroxybut-1-ynyl)phenyl]methyl]acetamide?
2-cyclobutyl-N-[[2-fluoro-5-(4-hydroxybut-1-ynyl)phenyl]methyl]acetamide has a molecular weight of 289.35 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[[2-fluoro-5-(4-hydroxybut-1-ynyl)phenyl]methyl]acetamide is sourced from PubChem (CID 103165231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).