4-fluoro-N-[1-[5-[3-(trifluoromethyl)benzoyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide

C25H21F4N3O2 — CID 142580553

About 4-fluoro-N-[1-[5-[3-(trifluoromethyl)benzoyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide

4-fluoro-N-[1-[5-[3-(trifluoromethyl)benzoyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide (PubChem CID 142580553) has the molecular formula C25H21F4N3O2 and a molecular weight of 471.45 g/mol. Its IUPAC name is 4-fluoro-N-[1-[5-[3-(trifluoromethyl)benzoyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 4-fluoro-N-[1-[5-[3-(trifluoromethyl)benzoyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide
• PubChem CID: 142580553
• Molecular Formula: C25H21F4N3O2
• Molecular Weight: 471.45 g/mol
• Exact Mass: 471.16
• IUPAC Name: 4-fluoro-N-[1-[5-[3-(trifluoromethyl)benzoyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide
• SMILES: CC(NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2C(=O)c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C25H21F4N3O2/c1-15(30-23(33)16-7-9-19(26)10-8-16)20-11-12-22-21(31-20)6-3-13-32(22)24(34)17-4-2-5-18(14-17)25(27,28)29/h2,4-5,7-12,14-15H,3,6,13H2,1H3,(H,30,33)
• InChIKey: HOOMNESHJSZYLA-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.45
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[5-[3-(trifluoromethyl)benzoyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide?

The IUPAC name of 4-fluoro-N-[1-[5-[3-(trifluoromethyl)benzoyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide (CID 142580553) is 4-fluoro-N-[1-[5-[3-(trifluoromethyl)benzoyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide.

What is the SMILES notation for 4-fluoro-N-[1-[5-[3-(trifluoromethyl)benzoyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide?

The canonical SMILES for 4-fluoro-N-[1-[5-[3-(trifluoromethyl)benzoyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide is CC(NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2C(=O)c1cccc(C(F)(F)F)c1.

What is the InChIKey of 4-fluoro-N-[1-[5-[3-(trifluoromethyl)benzoyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide?

The InChIKey is HOOMNESHJSZYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F4N3O2/c1-15(30-23(33)16-7-9-19(26)10-8-16)20-11-12-22-21(31-20)6-3-13-32(22)24(34)17-4-2-5-18(14-17)25(27,28)29/h2,4-5,7-12,14-15H,3,6,13H2,1H3,(H,30,33).

What are the key properties of 4-fluoro-N-[1-[5-[3-(trifluoromethyl)benzoyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide?

4-fluoro-N-[1-[5-[3-(trifluoromethyl)benzoyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide has a molecular weight of 471.45 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-[1-[5-[3-(trifluoromethyl)benzoyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide is sourced from PubChem (CID 142580553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).