N-[(1S)-1-(3-fluoroazetidin-3-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide

C23H20F4N2O2 — CID 155213896

About N-[(1S)-1-(3-fluoroazetidin-3-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide

N-[(1S)-1-(3-fluoroazetidin-3-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide (PubChem CID 155213896) has the molecular formula C23H20F4N2O2 and a molecular weight of 432.42 g/mol. Its IUPAC name is N-[(1S)-1-(3-fluoroazetidin-3-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(3-fluoroazetidin-3-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
• PubChem CID: 155213896
• Molecular Formula: C23H20F4N2O2
• Molecular Weight: 432.42 g/mol
• Exact Mass: 432.15
• IUPAC Name: N-[(1S)-1-(3-fluoroazetidin-3-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
• SMILES: C[C@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)C1(F)CNC1
• InChI: InChI=1S/C23H20F4N2O2/c1-14(22(24)12-28-13-22)29-21(30)16-5-10-19-15(11-16)3-2-4-20(19)31-18-8-6-17(7-9-18)23(25,26)27/h2-11,14,28H,12-13H2,1H3,(H,29,30)/t14-/m0/s1
• InChIKey: AEHFKRQGLSFTDY-AWEZNQCLSA-N
• XLogP: 5.08
• TPSA: 50.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.42
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-fluoroazetidin-3-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?

The IUPAC name of N-[(1S)-1-(3-fluoroazetidin-3-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide (CID 155213896) is N-[(1S)-1-(3-fluoroazetidin-3-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.

What is the SMILES notation for N-[(1S)-1-(3-fluoroazetidin-3-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?

The canonical SMILES for N-[(1S)-1-(3-fluoroazetidin-3-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide is C[C@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)C1(F)CNC1.

What is the InChIKey of N-[(1S)-1-(3-fluoroazetidin-3-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?

The InChIKey is AEHFKRQGLSFTDY-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H20F4N2O2/c1-14(22(24)12-28-13-22)29-21(30)16-5-10-19-15(11-16)3-2-4-20(19)31-18-8-6-17(7-9-18)23(25,26)27/h2-11,14,28H,12-13H2,1H3,(H,29,30)/t14-/m0/s1.

What are the key properties of N-[(1S)-1-(3-fluoroazetidin-3-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?

N-[(1S)-1-(3-fluoroazetidin-3-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide has a molecular weight of 432.42 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(3-fluoroazetidin-3-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 155213896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).