ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium

C20H25FN3O3+ — CID 8912321

About ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium

ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium (PubChem CID 8912321) has the molecular formula C20H25FN3O3+ and a molecular weight of 374.44 g/mol. Its IUPAC name is ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium.

Molecular Properties

• Compound Name: ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
• PubChem CID: 8912321
• Molecular Formula: C20H25FN3O3+
• Molecular Weight: 374.44 g/mol
• Exact Mass: 374.19
• IUPAC Name: ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
• SMILES: CC[NH+](CC(=O)Nc1cccc(C(=O)NC)c1)Cc1ccc(OC)c(F)c1
• InChI: InChI=1S/C20H24FN3O3/c1-4-24(12-14-8-9-18(27-3)17(21)10-14)13-19(25)23-16-7-5-6-15(11-16)20(26)22-2/h5-11H,4,12-13H2,1-3H3,(H,22,26)(H,23,25)/p+1
• InChIKey: IQVFTWBDKYEDFS-UHFFFAOYSA-O
• XLogP: 1.24
• TPSA: 71.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.44
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium (CID 8912321) is ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium.

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

The canonical SMILES for ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium is CC[NH+](CC(=O)Nc1cccc(C(=O)NC)c1)Cc1ccc(OC)c(F)c1.

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

The InChIKey is IQVFTWBDKYEDFS-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H24FN3O3/c1-4-24(12-14-8-9-18(27-3)17(21)10-14)13-19(25)23-16-7-5-6-15(11-16)20(26)22-2/h5-11H,4,12-13H2,1-3H3,(H,22,26)(H,23,25)/p+1.

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

ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium has a molecular weight of 374.44 g/mol, XLogP of 1.24, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium is sourced from PubChem (CID 8912321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).