4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide

C16H14FNO2S — CID 60821336

IUPAC4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1ccc(F)cc1C#CCCO
InChIInChI=1S/C16H14FNO2S/c17-13-6-7-15(12(10-13)4-1-2-8-19)16(20)18-11-14-5-3-9-21-14/h3,5-7,9-10,19H,2,8,11H2,(H,18,20)
InChIKeyVPXZLGDKHSIPLC-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.55
Rot. Bonds4

About 4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide

4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 60821336) has the molecular formula C16H14FNO2S and a molecular weight of 303.36 g/mol. Its IUPAC name is 4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID60821336
Molecular FormulaC16H14FNO2S
Molecular Weight303.36 g/mol
Exact Mass303.07
IUPAC Name4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1ccc(F)cc1C#CCCO
InChIInChI=1S/C16H14FNO2S/c17-13-6-7-15(12(10-13)4-1-2-8-19)16(20)18-11-14-5-3-9-21-14/h3,5-7,9-10,19H,2,8,11H2,(H,18,20)
InChIKeyVPXZLGDKHSIPLC-UHFFFAOYSA-N
XLogP2.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(thiophen-2-ylmethyl)benzamide
CID 60821335
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-propylbenzamide
CID 60816255
2-amino-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 62075015
2,5-difluoro-N-(thiophen-2-ylmethyl)benzamide
CID 71822121
N-butyl-4-fluoro-2-(4-hydroxybut-1-ynyl)benzamide
CID 54922080
N-(2,2-dimethylbutyl)-4-fluoro-2-(4-hydroxybut-1-ynyl)benzamide
CID 103463889
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 60817208
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106422360
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-pentan-2-ylbenzamide
CID 60817366
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(pyridazin-3-ylmethyl)benzamide
CID 106897465
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 60815511
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63283821

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide (CID 60821336) is 4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide is O=C(NCc1cccs1)c1ccc(F)cc1C#CCCO.
What is the InChIKey of 4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is VPXZLGDKHSIPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2S/c17-13-6-7-15(12(10-13)4-1-2-8-19)16(20)18-11-14-5-3-9-21-14/h3,5-7,9-10,19H,2,8,11H2,(H,18,20).
What are the key properties of 4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide?
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 303.36 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 60821336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).