4-(4-hydroxybut-1-ynyl)-N-(3,3,3-trifluoropropyl)benzamide

C14H14F3NO2 — CID 63228058

IUPAC4-(4-hydroxybut-1-ynyl)-N-(3,3,3-trifluoropropyl)benzamide
SMILESO=C(NCCC(F)(F)F)c1ccc(C#CCCO)cc1
InChIInChI=1S/C14H14F3NO2/c15-14(16,17)8-9-18-13(20)12-6-4-11(5-7-12)3-1-2-10-19/h4-7,19H,2,8-10H2,(H,18,20)
InChIKeyFYQKUDANUWKLKI-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.10
Rot. Bonds4

About 4-(4-hydroxybut-1-ynyl)-N-(3,3,3-trifluoropropyl)benzamide

4-(4-hydroxybut-1-ynyl)-N-(3,3,3-trifluoropropyl)benzamide (PubChem CID 63228058) has the molecular formula C14H14F3NO2 and a molecular weight of 285.27 g/mol. Its IUPAC name is 4-(4-hydroxybut-1-ynyl)-N-(3,3,3-trifluoropropyl)benzamide.

Molecular Properties

Compound Name4-(4-hydroxybut-1-ynyl)-N-(3,3,3-trifluoropropyl)benzamide
PubChem CID63228058
Molecular FormulaC14H14F3NO2
Molecular Weight285.27 g/mol
Exact Mass285.10
IUPAC Name4-(4-hydroxybut-1-ynyl)-N-(3,3,3-trifluoropropyl)benzamide
SMILESO=C(NCCC(F)(F)F)c1ccc(C#CCCO)cc1
InChIInChI=1S/C14H14F3NO2/c15-14(16,17)8-9-18-13(20)12-6-4-11(5-7-12)3-1-2-10-19/h4-7,19H,2,8-10H2,(H,18,20)
InChIKeyFYQKUDANUWKLKI-UHFFFAOYSA-N
XLogP2.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.10
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-(3-hydroxyprop-1-ynyl)-N-(3,3,3-trifluoropropyl)benzamide
CID 63227870
4-(4-hydroxybut-1-ynyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 54922298
N-(3-amino-3-oxopropyl)-4-(4-hydroxybut-1-ynyl)benzamide
CID 60815623
4-(4-hydroxybut-1-ynyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106295342
4-(3-aminoprop-1-ynyl)-N-(4,4,4-trifluorobutyl)benzamide
CID 115521811
ethyl 2-[[4-(4-hydroxybut-1-ynyl)benzoyl]amino]acetate
CID 60816874
5-(3-hydroxyprop-1-ynyl)-N-(3,3,3-trifluoropropyl)pyridine-2-carboxamide
CID 63227424
4-(4-hydroxybut-1-ynyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106406745
N-cyclobutyl-4-(4-hydroxybut-1-ynyl)benzamide
CID 62414049
4-hydroxy-N-[4-(4-hydroxybut-1-ynyl)phenyl]benzamide
CID 60803521
5-(4-hydroxybut-1-ynyl)-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide
CID 115521794
4-(4-hydroxybut-1-ynyl)-N-(oxolan-2-ylmethyl)benzamide
CID 60817167

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxybut-1-ynyl)-N-(3,3,3-trifluoropropyl)benzamide?
The IUPAC name of 4-(4-hydroxybut-1-ynyl)-N-(3,3,3-trifluoropropyl)benzamide (CID 63228058) is 4-(4-hydroxybut-1-ynyl)-N-(3,3,3-trifluoropropyl)benzamide.
What is the SMILES notation for 4-(4-hydroxybut-1-ynyl)-N-(3,3,3-trifluoropropyl)benzamide?
The canonical SMILES for 4-(4-hydroxybut-1-ynyl)-N-(3,3,3-trifluoropropyl)benzamide is O=C(NCCC(F)(F)F)c1ccc(C#CCCO)cc1.
What is the InChIKey of 4-(4-hydroxybut-1-ynyl)-N-(3,3,3-trifluoropropyl)benzamide?
The InChIKey is FYQKUDANUWKLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO2/c15-14(16,17)8-9-18-13(20)12-6-4-11(5-7-12)3-1-2-10-19/h4-7,19H,2,8-10H2,(H,18,20).
What are the key properties of 4-(4-hydroxybut-1-ynyl)-N-(3,3,3-trifluoropropyl)benzamide?
4-(4-hydroxybut-1-ynyl)-N-(3,3,3-trifluoropropyl)benzamide has a molecular weight of 285.27 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxybut-1-ynyl)-N-(3,3,3-trifluoropropyl)benzamide is sourced from PubChem (CID 63228058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).