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

C16H14FNO2S — CID 60815804

IUPAC2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1-thiophen-2-ylethyl)benzamide
SMILESCC(NC(=O)c1ccc(C#CCO)cc1F)c1cccs1
InChIInChI=1S/C16H14FNO2S/c1-11(15-5-3-9-21-15)18-16(20)13-7-6-12(4-2-8-19)10-14(13)17/h3,5-7,9-11,19H,8H2,1H3,(H,18,20)
InChIKeySBPDUCBWYIVUNZ-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.72
Rot. Bonds3

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

2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1-thiophen-2-ylethyl)benzamide (PubChem CID 60815804) has the molecular formula C16H14FNO2S and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1-thiophen-2-ylethyl)benzamide
PubChem CID60815804
Molecular FormulaC16H14FNO2S
Molecular Weight303.36 g/mol
Exact Mass303.07
IUPAC Name2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1-thiophen-2-ylethyl)benzamide
SMILESCC(NC(=O)c1ccc(C#CCO)cc1F)c1cccs1
InChIInChI=1S/C16H14FNO2S/c1-11(15-5-3-9-21-15)18-16(20)13-7-6-12(4-2-8-19)10-14(13)17/h3,5-7,9-11,19H,8H2,1H3,(H,18,20)
InChIKeySBPDUCBWYIVUNZ-UHFFFAOYSA-N
XLogP2.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1-thiophen-2-ylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1-thiophen-2-ylethyl)benzamide?
The IUPAC name of 2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1-thiophen-2-ylethyl)benzamide (CID 60815804) is 2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1-thiophen-2-ylethyl)benzamide is CC(NC(=O)c1ccc(C#CCO)cc1F)c1cccs1.
What is the InChIKey of 2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1-thiophen-2-ylethyl)benzamide?
The InChIKey is SBPDUCBWYIVUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2S/c1-11(15-5-3-9-21-15)18-16(20)13-7-6-12(4-2-8-19)10-14(13)17/h3,5-7,9-11,19H,8H2,1H3,(H,18,20).
What are the key properties of 2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1-thiophen-2-ylethyl)benzamide?
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1-thiophen-2-ylethyl)benzamide has a molecular weight of 303.36 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 60815804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).