N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide

C27H28FNO3 — CID 133199284

About N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide

N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide (PubChem CID 133199284) has the molecular formula C27H28FNO3 and a molecular weight of 433.52 g/mol. Its IUPAC name is N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide.

Molecular Properties

• Compound Name: N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
• PubChem CID: 133199284
• Molecular Formula: C27H28FNO3
• Molecular Weight: 433.52 g/mol
• Exact Mass: 433.21
• IUPAC Name: N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
• SMILES: CC(Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1
• InChI: InChI=1S/C27H28FNO3/c1-19(32-26-15-10-22-4-2-3-5-23(22)16-26)27(30)29-17-20-8-13-25(14-9-20)31-18-21-6-11-24(28)12-7-21/h6-16,19H,2-5,17-18H2,1H3,(H,29,30)
• InChIKey: CLJABEINGWPXGV-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 47.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.52
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?

The IUPAC name of N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide (CID 133199284) is N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide.

What is the SMILES notation for N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?

The canonical SMILES for N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide is CC(Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1.

What is the InChIKey of N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?

The InChIKey is CLJABEINGWPXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FNO3/c1-19(32-26-15-10-22-4-2-3-5-23(22)16-26)27(30)29-17-20-8-13-25(14-9-20)31-18-21-6-11-24(28)12-7-21/h6-16,19H,2-5,17-18H2,1H3,(H,29,30).

What are the key properties of N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?

N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide has a molecular weight of 433.52 g/mol, XLogP of 5.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide is sourced from PubChem (CID 133199284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).