1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-propanoylpyrrolidin-3-yl)urea

C19H26FN3O2 — CID 71917527

About 1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-propanoylpyrrolidin-3-yl)urea

1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-propanoylpyrrolidin-3-yl)urea (PubChem CID 71917527) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-propanoylpyrrolidin-3-yl)urea.

Molecular Properties

• Compound Name: 1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-propanoylpyrrolidin-3-yl)urea
• PubChem CID: 71917527
• Molecular Formula: C19H26FN3O2
• Molecular Weight: 347.43 g/mol
• Exact Mass: 347.20
• IUPAC Name: 1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-propanoylpyrrolidin-3-yl)urea
• SMILES: CCC(=O)N1CCC(NC(=O)NC2c3cccc(F)c3CCC2C)C1
• InChI: InChI=1S/C19H26FN3O2/c1-3-17(24)23-10-9-13(11-23)21-19(25)22-18-12(2)7-8-14-15(18)5-4-6-16(14)20/h4-6,12-13,18H,3,7-11H2,1-2H3,(H2,21,22,25)
• InChIKey: GUKLVDMCCKJIQT-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 61.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.43
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-propanoylpyrrolidin-3-yl)urea?

The IUPAC name of 1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-propanoylpyrrolidin-3-yl)urea (CID 71917527) is 1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-propanoylpyrrolidin-3-yl)urea.

What is the SMILES notation for 1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-propanoylpyrrolidin-3-yl)urea?

The canonical SMILES for 1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-propanoylpyrrolidin-3-yl)urea is CCC(=O)N1CCC(NC(=O)NC2c3cccc(F)c3CCC2C)C1.

What is the InChIKey of 1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-propanoylpyrrolidin-3-yl)urea?

The InChIKey is GUKLVDMCCKJIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-3-17(24)23-10-9-13(11-23)21-19(25)22-18-12(2)7-8-14-15(18)5-4-6-16(14)20/h4-6,12-13,18H,3,7-11H2,1-2H3,(H2,21,22,25).

What are the key properties of 1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-propanoylpyrrolidin-3-yl)urea?

1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-propanoylpyrrolidin-3-yl)urea has a molecular weight of 347.43 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-propanoylpyrrolidin-3-yl)urea is sourced from PubChem (CID 71917527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).