3-[6-[[2-(4-fluorophenyl)acetyl]amino]-3-pyridinyl]benzamide

C20H16FN3O2 — CID 54591948

IUPAC3-[6-[[2-(4-fluorophenyl)acetyl]amino]-3-pyridinyl]benzamide
SMILESNC(=O)c1cccc(-c2ccc(NC(=O)Cc3ccc(F)cc3)nc2)c1
InChIInChI=1S/C20H16FN3O2/c21-17-7-4-13(5-8-17)10-19(25)24-18-9-6-16(12-23-18)14-2-1-3-15(11-14)20(22)26/h1-9,11-12H,10H2,(H2,22,26)(H,23,24,25)
InChIKeyLYZKXJUELLUJIS-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.17
Rot. Bonds5

About 3-[6-[[2-(4-fluorophenyl)acetyl]amino]-3-pyridinyl]benzamide

3-[6-[[2-(4-fluorophenyl)acetyl]amino]-3-pyridinyl]benzamide (PubChem CID 54591948) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is 3-[6-[[2-(4-fluorophenyl)acetyl]amino]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[6-[[2-(4-fluorophenyl)acetyl]amino]-3-pyridinyl]benzamide
PubChem CID54591948
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name3-[6-[[2-(4-fluorophenyl)acetyl]amino]-3-pyridinyl]benzamide
SMILESNC(=O)c1cccc(-c2ccc(NC(=O)Cc3ccc(F)cc3)nc2)c1
InChIInChI=1S/C20H16FN3O2/c21-17-7-4-13(5-8-17)10-19(25)24-18-9-6-16(12-23-18)14-2-1-3-15(11-14)20(22)26/h1-9,11-12H,10H2,(H2,22,26)(H,23,24,25)
InChIKeyLYZKXJUELLUJIS-UHFFFAOYSA-N
XLogP3.17
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[6-[[2-(4-fluorophenyl)acetyl]amino]-3-pyridinyl]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 3-[6-[[2-(4-fluorophenyl)acetyl]amino]-3-pyridinyl]benzamide?
The IUPAC name of 3-[6-[[2-(4-fluorophenyl)acetyl]amino]-3-pyridinyl]benzamide (CID 54591948) is 3-[6-[[2-(4-fluorophenyl)acetyl]amino]-3-pyridinyl]benzamide.
What is the SMILES notation for 3-[6-[[2-(4-fluorophenyl)acetyl]amino]-3-pyridinyl]benzamide?
The canonical SMILES for 3-[6-[[2-(4-fluorophenyl)acetyl]amino]-3-pyridinyl]benzamide is NC(=O)c1cccc(-c2ccc(NC(=O)Cc3ccc(F)cc3)nc2)c1.
What is the InChIKey of 3-[6-[[2-(4-fluorophenyl)acetyl]amino]-3-pyridinyl]benzamide?
The InChIKey is LYZKXJUELLUJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c21-17-7-4-13(5-8-17)10-19(25)24-18-9-6-16(12-23-18)14-2-1-3-15(11-14)20(22)26/h1-9,11-12H,10H2,(H2,22,26)(H,23,24,25).
What are the key properties of 3-[6-[[2-(4-fluorophenyl)acetyl]amino]-3-pyridinyl]benzamide?
3-[6-[[2-(4-fluorophenyl)acetyl]amino]-3-pyridinyl]benzamide has a molecular weight of 349.37 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[2-(4-fluorophenyl)acetyl]amino]-3-pyridinyl]benzamide is sourced from PubChem (CID 54591948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).