ethyl-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]azanium

C20H24F2N3O3+ — CID 9349411

About ethyl-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]azanium

ethyl-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]azanium (PubChem CID 9349411) has the molecular formula C20H24F2N3O3+ and a molecular weight of 392.43 g/mol. Its IUPAC name is ethyl-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]azanium.

Molecular Properties

• Compound Name: ethyl-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]azanium
• PubChem CID: 9349411
• Molecular Formula: C20H24F2N3O3+
• Molecular Weight: 392.43 g/mol
• Exact Mass: 392.18
• IUPAC Name: ethyl-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]azanium
• SMILES: CC[NH+](CC(=O)NCC(=O)Nc1ccc(F)cc1)Cc1ccc(OC)c(F)c1
• InChI: InChI=1S/C20H23F2N3O3/c1-3-25(12-14-4-9-18(28-2)17(22)10-14)13-20(27)23-11-19(26)24-16-7-5-15(21)6-8-16/h4-10H,3,11-13H2,1-2H3,(H,23,27)(H,24,26)/p+1
• InChIKey: QNPZSEDDJJZZNJ-UHFFFAOYSA-O
• XLogP: 1.13
• TPSA: 71.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.43
LogP ≤ 5	1.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]azanium?

The IUPAC name of ethyl-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]azanium (CID 9349411) is ethyl-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]azanium.

What is the SMILES notation for ethyl-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]azanium?

The canonical SMILES for ethyl-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]azanium is CC[NH+](CC(=O)NCC(=O)Nc1ccc(F)cc1)Cc1ccc(OC)c(F)c1.

What is the InChIKey of ethyl-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]azanium?

The InChIKey is QNPZSEDDJJZZNJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H23F2N3O3/c1-3-25(12-14-4-9-18(28-2)17(22)10-14)13-20(27)23-11-19(26)24-16-7-5-15(21)6-8-16/h4-10H,3,11-13H2,1-2H3,(H,23,27)(H,24,26)/p+1.

What are the key properties of ethyl-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]azanium?

ethyl-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]azanium has a molecular weight of 392.43 g/mol, XLogP of 1.13, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]azanium is sourced from PubChem (CID 9349411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).