5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylcyclopentyl)benzamide

C17H20FNO2 — CID 63279208

IUPAC5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylcyclopentyl)benzamide
SMILESCC1CCCC1NC(=O)c1cc(F)ccc1C#CCCO
InChIInChI=1S/C17H20FNO2/c1-12-5-4-7-16(12)19-17(21)15-11-14(18)9-8-13(15)6-2-3-10-20/h8-9,11-12,16,20H,3-5,7,10H2,1H3,(H,19,21)
InChIKeyNESYIZLMDJDBMF-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.48
Rot. Bonds3

About 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylcyclopentyl)benzamide

5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylcyclopentyl)benzamide (PubChem CID 63279208) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylcyclopentyl)benzamide.

Molecular Properties

Compound Name5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylcyclopentyl)benzamide
PubChem CID63279208
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylcyclopentyl)benzamide
SMILESCC1CCCC1NC(=O)c1cc(F)ccc1C#CCCO
InChIInChI=1S/C17H20FNO2/c1-12-5-4-7-16(12)19-17(21)15-11-14(18)9-8-13(15)6-2-3-10-20/h8-9,11-12,16,20H,3-5,7,10H2,1H3,(H,19,21)
InChIKeyNESYIZLMDJDBMF-UHFFFAOYSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.48
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-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylcyclopentyl)benzamide
CID 81112587
2-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide
CID 63279115
5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(5-oxopyrrolidin-3-yl)benzamide
CID 106197488
5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)benzamide
CID 54921719
2-(3-aminoprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide
CID 55171481
N-(2-amino-2-oxoethyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide
CID 60816589
N-(2,3-dimethylcyclopentyl)-2-(4-hydroxybut-1-ynyl)benzamide
CID 64920882
2-amino-4-fluoro-N-(2-methylcyclohexyl)benzamide
CID 62073290
N-(3-ethoxypropyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide
CID 60816584
2-(3-aminoprop-1-ynyl)-N-(2-methylcyclohexyl)benzamide
CID 60820990
5-fluoro-2-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide
CID 60817200
[5-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]-piperidin-1-ylmethanone
CID 60816895

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylcyclopentyl)benzamide?
The IUPAC name of 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylcyclopentyl)benzamide (CID 63279208) is 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylcyclopentyl)benzamide.
What is the SMILES notation for 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylcyclopentyl)benzamide?
The canonical SMILES for 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylcyclopentyl)benzamide is CC1CCCC1NC(=O)c1cc(F)ccc1C#CCCO.
What is the InChIKey of 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylcyclopentyl)benzamide?
The InChIKey is NESYIZLMDJDBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-12-5-4-7-16(12)19-17(21)15-11-14(18)9-8-13(15)6-2-3-10-20/h8-9,11-12,16,20H,3-5,7,10H2,1H3,(H,19,21).
What are the key properties of 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylcyclopentyl)benzamide?
5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylcyclopentyl)benzamide has a molecular weight of 289.35 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylcyclopentyl)benzamide is sourced from PubChem (CID 63279208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).