3-fluoro-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide

C17H13FN2OS — CID 90627943

IUPAC3-fluoro-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
SMILESO=C(NCc1cncc(-c2ccsc2)c1)c1cccc(F)c1
InChIInChI=1S/C17H13FN2OS/c18-16-3-1-2-13(7-16)17(21)20-9-12-6-15(10-19-8-12)14-4-5-22-11-14/h1-8,10-11H,9H2,(H,20,21)
InChIKeyXUHRCOZVWWHRTA-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.88
Rot. Bonds4

About 3-fluoro-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide

3-fluoro-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide (PubChem CID 90627943) has the molecular formula C17H13FN2OS and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-fluoro-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
PubChem CID90627943
Molecular FormulaC17H13FN2OS
Molecular Weight312.37 g/mol
Exact Mass312.07
IUPAC Name3-fluoro-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
SMILESO=C(NCc1cncc(-c2ccsc2)c1)c1cccc(F)c1
InChIInChI=1S/C17H13FN2OS/c18-16-3-1-2-13(7-16)17(21)20-9-12-6-15(10-19-8-12)14-4-5-22-11-14/h1-8,10-11H,9H2,(H,20,21)
InChIKeyXUHRCOZVWWHRTA-UHFFFAOYSA-N
XLogP3.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-(4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 90627855
2-[(3-fluorophenyl)sulfonylamino]-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide
CID 90627861
3-fluoro-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 121196339
N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide
CID 90627839
4-(3-methoxyphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 90627858
N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-1H-indole-3-carboxamide
CID 90627962
N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 90628002
N-benzyl-5-(3-fluorophenyl)pyridine-3-carboxamide
CID 42845762
N-[(3-fluorophenyl)methyl]-5-(4-hydroxyphenyl)pyridine-3-carboxamide;methane
CID 159549428
2-pyridin-3-yloxy-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide
CID 90627965
3-(3-fluoro-4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]propanamide
CID 90627902
1-(1-adamantyl)-3-[(5-thiophen-3-yl-3-pyridinyl)methyl]urea
CID 90628030

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 3-fluoro-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide (CID 90627943) is 3-fluoro-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-fluoro-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide is O=C(NCc1cncc(-c2ccsc2)c1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide?
The InChIKey is XUHRCOZVWWHRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2OS/c18-16-3-1-2-13(7-16)17(21)20-9-12-6-15(10-19-8-12)14-4-5-22-11-14/h1-8,10-11H,9H2,(H,20,21).
What are the key properties of 3-fluoro-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide?
3-fluoro-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide has a molecular weight of 312.37 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 90627943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).