3-fluoro-4-methoxy-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzamide

C18H15FN2O2S — CID 91630676

IUPAC3-fluoro-4-methoxy-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cncc(-c3cccs3)c2)cc1F
InChIInChI=1S/C18H15FN2O2S/c1-23-16-5-4-13(8-15(16)19)18(22)21-10-12-7-14(11-20-9-12)17-3-2-6-24-17/h2-9,11H,10H2,1H3,(H,21,22)
InChIKeyIDVYQACTDHTBEY-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.89
Rot. Bonds5

About 3-fluoro-4-methoxy-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzamide

3-fluoro-4-methoxy-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzamide (PubChem CID 91630676) has the molecular formula C18H15FN2O2S and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzamide
PubChem CID91630676
Molecular FormulaC18H15FN2O2S
Molecular Weight342.40 g/mol
Exact Mass342.08
IUPAC Name3-fluoro-4-methoxy-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cncc(-c3cccs3)c2)cc1F
InChIInChI=1S/C18H15FN2O2S/c1-23-16-5-4-13(8-15(16)19)18(22)21-10-12-7-14(11-20-9-12)17-3-2-6-24-17/h2-9,11H,10H2,1H3,(H,21,22)
InChIKeyIDVYQACTDHTBEY-UHFFFAOYSA-N
XLogP3.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzamide (CID 91630676) is 3-fluoro-4-methoxy-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzamide is COc1ccc(C(=O)NCc2cncc(-c3cccs3)c2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzamide?
The InChIKey is IDVYQACTDHTBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2S/c1-23-16-5-4-13(8-15(16)19)18(22)21-10-12-7-14(11-20-9-12)17-3-2-6-24-17/h2-9,11H,10H2,1H3,(H,21,22).
What are the key properties of 3-fluoro-4-methoxy-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzamide?
3-fluoro-4-methoxy-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzamide has a molecular weight of 342.40 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 91630676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).