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

C15H12FNO2S — CID 60821335

IUPAC4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1ccc(F)cc1C#CCO
InChIInChI=1S/C15H12FNO2S/c16-12-5-6-14(11(9-12)3-1-7-18)15(19)17-10-13-4-2-8-20-13/h2,4-6,8-9,18H,7,10H2,(H,17,19)
InChIKeyKVDKWUVDCMVPLQ-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.16
Rot. Bonds3

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

4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 60821335) has the molecular formula C15H12FNO2S and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID60821335
Molecular FormulaC15H12FNO2S
Molecular Weight289.33 g/mol
Exact Mass289.06
IUPAC Name4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1ccc(F)cc1C#CCO
InChIInChI=1S/C15H12FNO2S/c16-12-5-6-14(11(9-12)3-1-7-18)15(19)17-10-13-4-2-8-20-13/h2,4-6,8-9,18H,7,10H2,(H,17,19)
InChIKeyKVDKWUVDCMVPLQ-UHFFFAOYSA-N
XLogP2.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.16
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-(4-hydroxybut-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide
CID 60821336
2-amino-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 62075015
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106422360
2,5-difluoro-N-(thiophen-2-ylmethyl)benzamide
CID 71822121
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(pyridazin-3-ylmethyl)benzamide
CID 106897465
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63283821
N-(3-amino-3-oxopropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60821465
N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60816119
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(3-methylsulfanylpropyl)benzamide
CID 63960542
N-(2-chlorophenyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60816277
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(3-methylbutan-2-yl)benzamide
CID 54921677
N-(3-ethoxypropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60816580

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide (CID 60821335) is 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide is O=C(NCc1cccs1)c1ccc(F)cc1C#CCO.
What is the InChIKey of 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is KVDKWUVDCMVPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2S/c16-12-5-6-14(11(9-12)3-1-7-18)15(19)17-10-13-4-2-8-20-13/h2,4-6,8-9,18H,7,10H2,(H,17,19).
What are the key properties of 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide?
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 289.33 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 60821335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).