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

C18H15FN2O2S — CID 91625831

IUPAC3-fluoro-4-methoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cccnc2-c2cccs2)cc1F
InChIInChI=1S/C18H15FN2O2S/c1-23-15-7-6-12(10-14(15)19)18(22)21-11-13-4-2-8-20-17(13)16-5-3-9-24-16/h2-10H,11H2,1H3,(H,21,22)
InChIKeyQWKJBSCWRJYJSG-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.89
Rot. Bonds5

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

3-fluoro-4-methoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide (PubChem CID 91625831) has the molecular formula C18H15FN2O2S and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
PubChem CID91625831
Molecular FormulaC18H15FN2O2S
Molecular Weight342.40 g/mol
Exact Mass342.08
IUPAC Name3-fluoro-4-methoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cccnc2-c2cccs2)cc1F
InChIInChI=1S/C18H15FN2O2S/c1-23-15-7-6-12(10-14(15)19)18(22)21-11-13-4-2-8-20-17(13)16-5-3-9-24-16/h2-10H,11H2,1H3,(H,21,22)
InChIKeyQWKJBSCWRJYJSG-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-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide (CID 91625831) is 3-fluoro-4-methoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide is COc1ccc(C(=O)NCc2cccnc2-c2cccs2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide?
The InChIKey is QWKJBSCWRJYJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2S/c1-23-15-7-6-12(10-14(15)19)18(22)21-11-13-4-2-8-20-17(13)16-5-3-9-24-16/h2-10H,11H2,1H3,(H,21,22).
What are the key properties of 3-fluoro-4-methoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide?
3-fluoro-4-methoxy-N-[(2-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-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 91625831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).