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

C14H14FNO2 — CID 62416791

IUPACN-cyclobutyl-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
SMILESO=C(NC1CCC1)c1ccc(F)cc1C#CCO
InChIInChI=1S/C14H14FNO2/c15-11-6-7-13(10(9-11)3-2-8-17)14(18)16-12-4-1-5-12/h6-7,9,12,17H,1,4-5,8H2,(H,16,18)
InChIKeyXIGHSGPTCAQMRY-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.45
Rot. Bonds2

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

N-cyclobutyl-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide (PubChem CID 62416791) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is N-cyclobutyl-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide.

Molecular Properties

Compound NameN-cyclobutyl-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
PubChem CID62416791
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC NameN-cyclobutyl-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
SMILESO=C(NC1CCC1)c1ccc(F)cc1C#CCO
InChIInChI=1S/C14H14FNO2/c15-11-6-7-13(10(9-11)3-2-8-17)14(18)16-12-4-1-5-12/h6-7,9,12,17H,1,4-5,8H2,(H,16,18)
InChIKeyXIGHSGPTCAQMRY-UHFFFAOYSA-N
XLogP1.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.45
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

4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)benzamide
CID 61223453
2-(3-aminoprop-1-ynyl)-N-cycloheptyl-4-fluorobenzamide
CID 60822472
N-(3,3-dimethylcyclopentyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 114550695
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(5-oxopyrrolidin-3-yl)benzamide
CID 106197518
N-cyclobutyl-3-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
CID 62414632
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 62978558
N-cyclobutyl-2,4-difluorobenzamide
CID 70247338
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide
CID 64688470
N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 102868031
N-(3-amino-3-oxopropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60821465
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107414962
N-(2-chlorophenyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60816277

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide?
The IUPAC name of N-cyclobutyl-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide (CID 62416791) is N-cyclobutyl-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide.
What is the SMILES notation for N-cyclobutyl-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide?
The canonical SMILES for N-cyclobutyl-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide is O=C(NC1CCC1)c1ccc(F)cc1C#CCO.
What is the InChIKey of N-cyclobutyl-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide?
The InChIKey is XIGHSGPTCAQMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c15-11-6-7-13(10(9-11)3-2-8-17)14(18)16-12-4-1-5-12/h6-7,9,12,17H,1,4-5,8H2,(H,16,18).
What are the key properties of N-cyclobutyl-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide?
N-cyclobutyl-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide has a molecular weight of 247.27 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide is sourced from PubChem (CID 62416791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).