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

C14H14FNO2 — CID 62414632

IUPACN-cyclobutyl-3-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
SMILESO=C(NC1CCC1)c1ccc(C#CCO)c(F)c1
InChIInChI=1S/C14H14FNO2/c15-13-9-11(7-6-10(13)3-2-8-17)14(18)16-12-4-1-5-12/h6-7,9,12,17H,1,4-5,8H2,(H,16,18)
InChIKeyNISBNHAGALAGIA-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.45
Rot. Bonds2

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

N-cyclobutyl-3-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide (PubChem CID 62414632) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is N-cyclobutyl-3-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide.

Molecular Properties

Compound NameN-cyclobutyl-3-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
PubChem CID62414632
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC NameN-cyclobutyl-3-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
SMILESO=C(NC1CCC1)c1ccc(C#CCO)c(F)c1
InChIInChI=1S/C14H14FNO2/c15-13-9-11(7-6-10(13)3-2-8-17)14(18)16-12-4-1-5-12/h6-7,9,12,17H,1,4-5,8H2,(H,16,18)
InChIKeyNISBNHAGALAGIA-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

3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(3-methylcyclopentyl)benzamide
CID 114550641
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(5-oxopyrrolidin-3-yl)benzamide
CID 106197528
3-fluoro-4-(3-hydroxyprop-1-ynyl)benzoic acid
CID 169485195
N-cyclobutyl-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 62416791
3-fluoro-4-(4-hydroxybut-1-ynyl)-N-(thiolan-3-yl)benzamide
CID 103064415
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide
CID 64686483
3-fluoro-4-(4-hydroxybut-1-ynyl)-N-(oxolan-3-yl)benzamide
CID 80712752
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 104968273
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(oxan-4-ylmethyl)benzamide
CID 63707253
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 106021758
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(2-methyl-3-pyridinyl)benzamide
CID 79042973
N-cyclopentyl-3-fluoro-4-prop-2-ynoxybenzamide
CID 57445692

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-3-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide?
The IUPAC name of N-cyclobutyl-3-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide (CID 62414632) is N-cyclobutyl-3-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide.
What is the SMILES notation for N-cyclobutyl-3-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide?
The canonical SMILES for N-cyclobutyl-3-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide is O=C(NC1CCC1)c1ccc(C#CCO)c(F)c1.
What is the InChIKey of N-cyclobutyl-3-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide?
The InChIKey is NISBNHAGALAGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c15-13-9-11(7-6-10(13)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-3-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide?
N-cyclobutyl-3-fluoro-4-(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-3-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide is sourced from PubChem (CID 62414632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).