N-(3,3-dimethylcyclopentyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide

C17H20FNO2 — CID 114550695

IUPACN-(3,3-dimethylcyclopentyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
SMILESCC1(C)CCC(NC(=O)c2ccc(F)cc2C#CCO)C1
InChIInChI=1S/C17H20FNO2/c1-17(2)8-7-14(11-17)19-16(21)15-6-5-13(18)10-12(15)4-3-9-20/h5-6,10,14,20H,7-9,11H2,1-2H3,(H,19,21)
InChIKeyDFNJJZYHBHBXRS-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.48
Rot. Bonds2

About N-(3,3-dimethylcyclopentyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide

N-(3,3-dimethylcyclopentyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide (PubChem CID 114550695) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
PubChem CID114550695
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC NameN-(3,3-dimethylcyclopentyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
SMILESCC1(C)CCC(NC(=O)c2ccc(F)cc2C#CCO)C1
InChIInChI=1S/C17H20FNO2/c1-17(2)8-7-14(11-17)19-16(21)15-6-5-13(18)10-12(15)4-3-9-20/h5-6,10,14,20H,7-9,11H2,1-2H3,(H,19,21)
InChIKeyDFNJJZYHBHBXRS-UHFFFAOYSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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

N-cyclobutyl-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 62416791
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)benzamide
CID 61223453
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide
CID 64688470
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(5-oxopyrrolidin-3-yl)benzamide
CID 106197518
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 62978558
2-(3-aminoprop-1-ynyl)-N-(3,3-dimethylcyclopentyl)-5-methylbenzamide
CID 114550753
2-(3-aminoprop-1-ynyl)-N-cycloheptyl-4-fluorobenzamide
CID 60822472
2-chloro-N-(3,3-dimethylcyclopentyl)-4,5-difluorobenzamide
CID 115880901
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107414962
N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60816119
N-(3-ethoxypropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60816580
N-(3,3-dimethylcyclohexyl)-5-fluoro-2-hydroxybenzamide
CID 115299187

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide (CID 114550695) is N-(3,3-dimethylcyclopentyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide is CC1(C)CCC(NC(=O)c2ccc(F)cc2C#CCO)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide?
The InChIKey is DFNJJZYHBHBXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-17(2)8-7-14(11-17)19-16(21)15-6-5-13(18)10-12(15)4-3-9-20/h5-6,10,14,20H,7-9,11H2,1-2H3,(H,19,21).
What are the key properties of N-(3,3-dimethylcyclopentyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide?
N-(3,3-dimethylcyclopentyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide has a molecular weight of 289.35 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide is sourced from PubChem (CID 114550695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).